Vitas-M small molecule compound

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

Catalog ID
STL299217
SMILES O=C(Nc1ccccc1c1ccccc1)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 C33H32N4OS MW 532.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N4OS/c1-23-14-20-27(21-15-23)37-31(25-16-18-26(19-17-25)33(2,3)4)35-36-32(37)39-22-30(38)34-29-13-9-8-12-28(29)24-10-6-5-7-11-24/h5-21H,22H2,1-4H3,(H,34,38)
InChIKey
FVWZLVKCNOVFSA-UHFFFAOYSA-N
Synonyms
861628-04-8
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N(2PHENYLPHENYL)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N(2PHENYLPHENYL)ACETAMIDE
2(5(4(TERTBUTYL)PHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))N(2PHENYLPHENYL)ACETAMIDE
861628048
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C4=CC=CC=C4)C5=CC=C(C=C5)C(C)(C)C
InChI=1SC33H32N4OSc123142027(211523)3731(25161826(191725)33(23)4)353632(37)392230(38)342913981228(29)24106571124h521H22H214H3(H3438)
MFCD05684618
N((11biphenyl)2yl)2((5(4(tertbutyl)phenyl)4(ptolyl)4H124triazol3yl)thio)acetamide
N(biphenyl2yl)2((5(4tertbutylphenyl)4(4methylphenyl)4H124triazol3yl)sulfanyl)acetamide
ZINC000097958321
ZINC97958321

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Available files

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