Vitas-M small molecule compound

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

Catalog ID
STL299219
SMILES O=C(Nc1ccc(cc1C)Cl)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 C28H29ClN4OS MW 505.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29ClN4OS/c1-18-6-13-23(14-7-18)33-26(20-8-10-21(11-9-20)28(3,4)5)31-32-27(33)35-17-25(34)30-24-15-12-22(29)16-19(24)2/h6-16H,17H2,1-5H3,(H,30,34)
InChIKey
XQAMJUCHQIYGOK-UHFFFAOYSA-N
Synonyms
861651-13-0
2((5(4(tertbutyl)phenyl)4(ptolyl)4H124triazol3yl)thio)N(4chloro2methylphenyl)acetamide
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N(4CHLORO2METHYLPHENYL)ACETAMIDE
2((5(4tertbutylphenyl)4(4methylphenyl)4H124triazol3yl)sulfanyl)N(4chloro2methylphenyl)acetamide
2(5(4(TERTBUTYL)PHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))N(4CHLORO2METHYLPHENYL)ACETAMIDE
861651130
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)Cl)C)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC28H29ClN4OSc11861323(14718)3326(2081021(11920)28(34)5)313227(33)351725(34)3024151222(29)1619(24)2h616H17H215H3(H3034)
MFCD05686432
ZINC000009309270
ZINC09309270
ZINC9309270

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Available files

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