Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
Catalog ID
STK063716
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)F)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 C28H29FN4O2S MW 504.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29FN4O2S/c1-18-6-11-21(16-24(18)29)30-25(34)17-36-27-32-31-26(19-7-9-20(10-8-19)28(2,3)4)33(27)22-12-14-23(35-5)15-13-22/h6-16H,17H2,1-5H3,(H,30,34)InChIKey
HTOAGRCYPJUALX-UHFFFAOYSA-NSynonyms
499103-16-12((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)N(3fluoro4methylphenyl)acetamide
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N(3FLUORO4METHYLPHENYL)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N(3FLUORO4METHYLPHENYL)ACETAMIDE
2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))N(3FLUORO4METHYLPHENYL)ACETAMIDE
499103161
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)F
COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)F)C)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC28H29FN4O2Sc11861121(1624(18)29)3025(34)173627323126(197920(10819)28(23)4)33(27)22121423(355)151322h616H17H215H3(H3034)
MFCD03223987
STK063716
ZINC000001738794
ZINC01738794
ZINC1738794
Check stock
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Check stock on Vitas-MAvailable files
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