Vitas-M small molecule compound
2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Catalog ID
STK279327
SMILES O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc(n1C)c1ccc2c(c1)OCCO2
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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 C20H17F3N4O3S MW 450.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17F3N4O3S/c1-27-18(12-5-6-15-16(9-12)30-8-7-29-15)25-26-19(27)31-11-17(28)24-14-4-2-3-13(10-14)20(21,22)23/h2-6,9-10H,7-8,11H2,1H3,(H,24,28)InChIKey
QRFDGHOXDZUGAJ-UHFFFAOYSA-NSynonyms
2((5(23dihydro14benzodioxin6yl)4methyl124triazol3yl)sulfanyl)N(3(trifluoromethyl)phenyl)acetamide
2((5(23DIHYDRO14BENZODIOXIN6YL)4METHYL4H124TRIAZOL3YL)SULFANYL)N(3(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC4=C(C=C3)OCCO4
InChI=1SC20H17F3N4O3Sc12718(12561516(912)30872915)252619(27)311117(28)241442313(1014)20(2122)23h26910H7811H21H3(H2428)
MFCD09269765
ZINC000009096193
ZINC09096193
ZINC9096193
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