Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Catalog ID
STK059409
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2F)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 C27H27FN4O2S MW 490.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27FN4O2S/c1-27(2,3)19-11-9-18(10-12-19)25-30-31-26(32(25)20-13-15-21(34-4)16-14-20)35-17-24(33)29-23-8-6-5-7-22(23)28/h5-16H,17H2,1-4H3,(H,29,33)InChIKey
MPBDEJFHXBKQNU-UHFFFAOYSA-NSynonyms
499103-12-72((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)N(2fluorophenyl)acetamide
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N(2FLUOROPHENYL)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N(2FLUOROPHENYL)ACETAMIDE
2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))N(2FLUOROPHENYL)ACETAMIDE
499103127
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NC4=CC=CC=C4F
COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2F)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC27H27FN4O2Sc127(23)1911918(101219)25303126(32(25)20131521(344)161420)351724(33)2923865722(23)28h516H17H214H3(H2933)
MFCD03223982
STK059409
ZINC000002370903
ZINC02370903
ZINC2370903
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.