Vitas-M small molecule compound

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

Catalog ID
STL299189
SMILES O=C(Nc1ccc(c(c1)F)F)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 C27H26F2N4OS MW 492.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26F2N4OS/c1-17-5-12-21(13-6-17)33-25(18-7-9-19(10-8-18)27(2,3)4)31-32-26(33)35-16-24(34)30-20-11-14-22(28)23(29)15-20/h5-15H,16H2,1-4H3,(H,30,34)
InChIKey
MQYUVPKOLSNVSG-UHFFFAOYSA-N
Synonyms
848987-31-5
2((5(4(tertbutyl)phenyl)4(ptolyl)4H124triazol3yl)thio)N(34difluorophenyl)acetamide
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N(34DIFLUOROPHENYL)ACETAMIDE
2((5(4tertbutylphenyl)4(4methylphenyl)4H124triazol3yl)sulfanyl)N(34difluorophenyl)acetamide
848987315
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)F)F)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC27H26F2N4OSc11751221(13617)3325(187919(10818)27(23)4)313226(33)351624(34)3020111422(28)23(29)1520h515H16H214H3(H3034)
MFCD05678581
N(34DIFLUOROPHENYL)2(5(4(TERTBUTYL)PHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002446149
ZINC02446149
ZINC2446149

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Available files

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