Vitas-M small molecule compound

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

Catalog ID
STK577008
SMILES O=C(Nc1ccc(cc1)N(C)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 C29H33N5OS MW 499.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N5OS/c1-20-7-15-25(16-8-20)34-27(21-9-11-22(12-10-21)29(2,3)4)31-32-28(34)36-19-26(35)30-23-13-17-24(18-14-23)33(5)6/h7-18H,19H2,1-6H3,(H,30,35)
InChIKey
BUSINFQHJWSFFD-UHFFFAOYSA-N
Synonyms
862104-83-4
2((5(4(tertbutyl)phenyl)4(ptolyl)4H124triazol3yl)thio)N(4(dimethylamino)phenyl)acetamide
2((5(4tertbutylphenyl)4(4methylphenyl)124triazol3yl)sulfanyl)N(4(dimethylamino)phenyl)acetamide
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N(4DIMETHYLAMINOPHENYL)ACETAMIDE
2((5(4tertbutylphenyl)4(4methylphenyl)4H124triazol3yl)sulfanyl)N(4(dimethylamino)phenyl)acetamide
862104834
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC29H33N5OSc12071525(16820)3427(2191122(121021)29(23)4)313228(34)361926(35)3023131724(181423)33(5)6h718H19H216H3(H3035)
MFCD04846627
N(4(DIMETHYLAMINO)PHENYL)2(5(4(TERTBUTYL)PHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000009309328
ZINC09309328
ZINC9309328

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.