Vitas-M small molecule compound
4-bromo-N-{[4-methyl-5-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK140062
SMILES O=C(Nc1ccc(cc1)C)CSc1nnc(n1C)CNC(=O)c1ccc(cc1)Br
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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 C20H20BrN5O2S MW 474.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN5O2S/c1-13-3-9-16(10-4-13)23-18(27)12-29-20-25-24-17(26(20)2)11-22-19(28)14-5-7-15(21)8-6-14/h3-10H,11-12H2,1-2H3,(H,22,28)(H,23,27)InChIKey
KOFUZEXVGQKBNC-UHFFFAOYSA-NSynonyms
4BROMON((4METHYL5((2((4METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
4BROMON((4METHYL5(2(4METHYLANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=C(C=C3)Br
InChI=1SC20H20BrN5O2Sc1133916(10413)2318(27)122920252417(26(20)2)112219(28)145715(21)8614h310H1112H212H3(H2228)(H2327)
MFCD05986508
ZINC000001111625
ZINC01111625
ZINC1111625
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