Chemical Compound

2-(5-(cyclopropylmethyl)-3-(6-fluoro- 3''-methyl-[1,1''- biphenyl]-3-yl)-4- (3-fluoro-4-sulfamoylbenzyl)-1H- (MeOD) 948; 8.17 (s, 1H), 7.77 (t, J = 15.8 Hz, 1H), 7.59-7.63 (m, 1H), 7.54-7.56 (m, 1H) 7.31 (t, J = 16 Hz, 1H), 7.08-7.23 (m, 7H), 4.19 (s, 2H), 3.32 (d, J = 4 Hz, 2H), 2.35 (s, 3H), 1.11-1.14 (m, 1H), 0.39-0.41 (m, 2H), 0.24-0.25 (m, 2H); MS (ES) m/z 621 [M + H]+; LCMS RT = 1.38 min.

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2-(5-(cyclopropylmethyl)-3-(6-fluoro- 3''-methyl-[1,1''- biphenyl]-3-yl)-4- (3-fluoro-4-sulfamoylbenzyl)-1H- (MeOD) 948; 8.17 (s, 1H), 7.77 (t, J = 15.8 Hz, 1H), 7.59-7.63 (m, 1H), 7.54-7.56 (m, 1H) 7.31 (t, J = 16 Hz, 1H), 7.08-7.23 (m, 7H), 4.19 (s, 2H), 3.32 (d, J = 4 Hz, 2H), 2.35 (s, 3H), 1.11-1.14 (m, 1H), 0.39-0.41 (m, 2H), 0.24-0.25 (m, 2H); MS (ES) m/z 621 [M + H]+; LCMS RT = 1.38 min. 结构式
Primary record

2-(5-(cyclopropylmethyl)-3-(6-fluoro- 3''-methyl-[1,1''- biphenyl]-3-yl)-4- (3-fluoro-4-sulfamoylbenzyl)-1H- (MeOD) 948; 8.17 (s, 1H), 7.77 (t, J = 15.8 Hz, 1H), 7.59-7.63 (m, 1H), 7.54-7.56 (m, 1H) 7.31 (t, J = 16 Hz, 1H), 7.08-7.23 (m, 7H), 4.19 (s, 2H), 3.32 (d, J = 4 Hz, 2H), 2.35 (s, 3H), 1.11-1.14 (m, 1H), 0.39-0.41 (m, 2H), 0.24-0.25 (m, 2H); MS (ES) m/z 621 [M + H]+; LCMS RT = 1.38 min.

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
148966361
SMILES
CC1=CC(=CC=C1)C2=C(C=CC(=C2)C3=NN(C(=C3CC4=CC(=C(C=C4)[SH+](=O)N)F)CC5CC5)C6=NC(=CS6)C(=O)O)F
Canonical SMILES
Cc1cccc(-c2cc(-c3nn(-c4nc(C(=O)O)cs4)c(CC4CC4)c3Cc3ccc([SH+](N)=O)c(F)c3)ccc2F)c1

名称与同义词

  • BDBM488186
  • US10954228, Compound 141
  • 2-(5-(cyclopropylmethyl)-3-(6-fluoro- 3''-methyl-[1,1''- biphenyl]-3-yl)-4- (3-fluoro-4-sulfamoylbenzyl)-1H- (MeOD) 948; 8.17 (s, 1H), 7.77 (t, J = 15.8 Hz, 1H), 7.59-7.63 (m, 1H), 7.54-7.56 (m, 1H) 7.31 (t, J = 16 Hz, 1H), 7.08-7.23 (m, 7H), 4.19 (s, 2H), 3.32 (d, J = 4 Hz, 2H), 2.35 (s, 3H), 1.11-1.14 (m, 1H), 0.39-0.41 (m, 2H), 0.24-0.25 (m, 2H); MS (ES) m/z 621 [M + H]+; LCMS RT = 1.38 min.