Vitas-M small molecule compound
4-tert-butyl-N-{4-[4-methyl-5-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]phenyl}benzamide
Catalog ID
STL357646
SMILES O=C(Nc1ccc(cc1)C)CSc1nnc(n1C)c1ccc(cc1)NC(=O)c1ccc(cc1)C(C)(C)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 C29H31N5O2S MW 513.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O2S/c1-19-6-14-23(15-7-19)30-25(35)18-37-28-33-32-26(34(28)5)20-10-16-24(17-11-20)31-27(36)21-8-12-22(13-9-21)29(2,3)4/h6-17H,18H2,1-5H3,(H,30,35)(H,31,36)InChIKey
QKLFGURRDSNOHX-UHFFFAOYSA-NSynonyms
444058-10-04(tertbutyl)N(4(4methyl5((2oxo2(ptolylamino)ethyl)thio)4H124triazol3yl)phenyl)benzamide
444058100
4tertbutylN(4(4methyl5((2((4methylphenyl)amino)2oxoethyl)sulfanyl)4H124triazol3yl)phenyl)benzamide
4TERTBUTYLN(4(4METHYL5((2OXO2(4TOLUIDINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)PHENYL)BENZAMIDE
4TERTBUTYLN(4(4METHYL5(2(4METHYLANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)PHENYL)BENZAMIDE
CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC29H31N5O2Sc11961423(15719)3025(35)183728333226(34(28)5)20101624(171120)3127(36)2181222(13921)29(23)4h617H18H215H3(H3035)(H3136)
MFCD02951521
ZINC000002185507
ZINC02185507
ZINC2185507
Check stock
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