Vitas-M small molecule compound
2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Catalog ID
STK696756
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C(F)(F)F)nnc1c1ccccc1C
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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 C21H19F3N4OS MW 432.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19F3N4OS/c1-3-11-28-19(17-10-5-4-7-14(17)2)26-27-20(28)30-13-18(29)25-16-9-6-8-15(12-16)21(22,23)24/h3-10,12H,1,11,13H2,2H3,(H,25,29)InChIKey
NNJLNKZQJCJZME-UHFFFAOYSA-NSynonyms
899390-44-42((4allyl5(otolyl)4H124triazol3yl)thio)N(3(trifluoromethyl)phenyl)acetamide
2((5(2methylphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(3(trifluoromethyl)phenyl)acetamide
2((5(2METHYLPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(3(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
2(5(2METHYLPHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))N(3(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
899390444
CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI=1SC21H19F3N4OSc13112819(171054714(17)2)262720(28)301318(29)251696815(1216)21(2223)24h31012H11113H22H3(H2529)
MFCD06187016
ZINC000002242072
ZINC02242072
ZINC2242072
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