Vitas-M small molecule compound
N-{4-[4-benzyl-5-({2-[(4-bromo-2-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]phenyl}-3-methylbenzamide
Catalog ID
STK129589
SMILES O=C(Nc1ccc(cc1Cl)Br)CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)NC(=O)c1cccc(c1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C31H25BrClN5O2S MW 646.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25BrClN5O2S/c1-20-6-5-9-23(16-20)30(40)34-25-13-10-22(11-14-25)29-36-37-31(38(29)18-21-7-3-2-4-8-21)41-19-28(39)35-27-15-12-24(32)17-26(27)33/h2-17H,18-19H2,1H3,(H,34,40)(H,35,39)InChIKey
IANHGYRXTYHZAA-UHFFFAOYSA-NSynonyms
CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=NN=C(N3CC4=CC=CC=C4)SCC(=O)NC5=C(C=C(C=C5)Br)Cl
InChI=1SC31H25BrClN5O2Sc12065923(1620)30(40)3425131022(111425)29363731(38(29)18217324821)411928(39)3527151224(32)1726(27)33h217H1819H21H3(H3440)(H3539)
MFCD03870603
N(4(4BENZYL5((2((4BROMO2CHLOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)PHENYL)3METHYLBENZAMIDE
N(4(4BENZYL5(2(4BROMO2CHLOROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)PHENYL)3METHYLBENZAMIDE
ZINC000097995726
ZINC97995726
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