Vitas-M small molecule compound
N-(4-{4-benzyl-5-[(4-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)-2-chlorobenzamide
Catalog ID
STK123756
SMILES Brc1ccc(cc1)CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)NC(=O)c1ccccc1Cl
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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 C29H22BrClN4OS MW 589.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22BrClN4OS/c30-23-14-10-21(11-15-23)19-37-29-34-33-27(35(29)18-20-6-2-1-3-7-20)22-12-16-24(17-13-22)32-28(36)25-8-4-5-9-26(25)31/h1-17H,18-19H2,(H,32,36)InChIKey
WDXQWFTUJOCELG-UHFFFAOYSA-NSynonyms
C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5Cl
InChI=1SC29H22BrClN4OSc3023141021(111523)193729343327(35(29)18206213720)22121624(171322)3228(36)25845926(25)31h117H1819H2(H3236)
MFCD03839000
N(4(4BENZYL5((4BROMOBENZYL)SULFANYL)4H124TRIAZOL3YL)PHENYL)2CHLOROBENZAMIDE
N(4(4BENZYL5((4BROMOPHENYL)METHYLSULFANYL)124TRIAZOL3YL)PHENYL)2CHLOROBENZAMIDE
ZINC000008438181
ZINC08438181
ZINC8438181
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