Vitas-M small molecule compound

N-[4-(acetylamino)phenyl]-2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK590756
SMILES O=C(Nc1ccc(cc1)NC(=O)C)CSc1nnc(n1c1ccc(cc1)C)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/c1-19-6-16-25(17-7-19)34-27(21-8-10-22(11-9-21)29(3,4)5)32-33-28(34)37-18-26(36)31-24-14-12-23(13-15-24)30-20(2)35/h6-17H,18H2,1-5H3,(H,30,35)(H,31,36)
InChIKey
KIRUVSKNTVMROC-UHFFFAOYSA-N
Synonyms
848995-56-2
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N(4ACETAMIDOPHENYL)ACETAMIDE
848995562
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)NC(=O)C)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC29H31N5O2Sc11961625(17719)3427(2181022(11921)29(34)5)323328(34)371826(36)3124141223(131524)3020(2)35h617H18H215H3(H3035)(H3136)
MFCD04852733
N(4(acetylamino)phenyl)2((5(4tertbutylphenyl)4(4methylphenyl)4H124triazol3yl)sulfanyl)acetamide
N(4(ACETYLAMINO)PHENYL)2(5(4(TERTBUTYL)PHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N(4acetamidophenyl)2((5(4(tertbutyl)phenyl)4(ptolyl)4H124triazol3yl)thio)acetamide
N(4ACETAMIDOPHENYL)2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000002447535
ZINC02447535
ZINC2447535

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Available files

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