Vitas-M small molecule compound
2-{[4-amino-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
Catalog ID
STL339930
SMILES O=C(Nc1ccc(c(c1)F)C)CSc1nnc(n1N)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 C21H24FN5OS MW 413.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24FN5OS/c1-13-5-10-16(11-17(13)22)24-18(28)12-29-20-26-25-19(27(20)23)14-6-8-15(9-7-14)21(2,3)4/h5-11H,12,23H2,1-4H3,(H,24,28)InChIKey
PDYXOLLWZDIDAQ-UHFFFAOYSA-NSynonyms
843617-99-22((4amino5(4(tertbutyl)phenyl)4H124triazol3yl)thio)N(3fluoro4methylphenyl)acetamide
2((4AMINO5(4TERTBUTYLPHENYL)124TRIAZOL3YL)SULFANYL)N(3FLUORO4METHYLPHENYL)ACETAMIDE
2((4amino5(4tertbutylphenyl)4H124triazol3yl)sulfanyl)N(3fluoro4methylphenyl)acetamide
2(4AMINO5(4(TERTBUTYL)PHENYL)(124TRIAZOL3YLTHIO))N(3FLUORO4METHYLPHENYL)ACETAMIDE
843617992
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)C(C)(C)C)F
InChI=1SC21H24FN5OSc11351016(1117(13)22)2418(28)122920262519(27(20)23)146815(9714)21(23)4h511H1223H214H3(H2428)
MFCD04015302
ZINC000002427900
ZINC02427900
ZINC2427900
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