Vitas-M small molecule compound

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

Catalog ID
STK015949
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)C)C)nnc1c1ccc(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 C29H32N4O2S MW 500.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O2S/c1-19-7-12-23(17-20(19)2)30-26(34)18-36-28-32-31-27(21-8-10-22(11-9-21)29(3,4)5)33(28)24-13-15-25(35-6)16-14-24/h7-17H,18H2,1-6H3,(H,30,34)
InChIKey
OSAZIRAHXFUCHK-UHFFFAOYSA-N
Synonyms
499103-51-4
2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)N(34dimethylphenyl)acetamide
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N(34DIMETHYLPHENYL)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N(34DIMETHYLPHENYL)ACETAMIDE
2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))N(34DIMETHYLPHENYL)ACETAMIDE
499103514
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(C)(C)C)C
COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)C)C)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC29H32N4O2Sc11971223(1720(19)2)3026(34)183628323127(2181022(11921)29(34)5)33(28)24131525(356)161424h717H18H216H3(H3034)
MFCD03224038
STK015949
ZINC000001835256
ZINC01835256
ZINC1835256

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Available files

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