Vitas-M small molecule compound

methyl {[3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate

Catalog ID
STL324478
SMILES COC(=O)COc1ccc2c(c1)oc(c(c2=O)c1csc(n1)C)C(F)(F)F

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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 C17H12F3NO5S MW 399.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12F3NO5S/c1-8-21-11(7-27-8)14-15(23)10-4-3-9(25-6-13(22)24-2)5-12(10)26-16(14)17(18,19)20/h3-5,7H,6H2,1-2H3
InChIKey
MWDLXORRSSCWEE-UHFFFAOYSA-N
Synonyms
303025-31-2
303025312
CC1=NC(=CS1)C2=C(OC3=C(C2=O)C=CC(=C3)OCC(=O)OC)C(F)(F)F
InChI=1SC17H12F3NO5Sc182111(7278)1415(23)10439(25613(22)242)512(10)2616(14)17(1819)20h357H6H212H3
methyl((3(2methyl13thiazol4yl)4oxo2(trifluoromethyl)4Hchromen7yl)oxy)acetate
methyl2((3(2methylthiazol4yl)4oxo2(trifluoromethyl)4Hchromen7yl)oxy)acetate
METHYL2(3(2METHYL13THIAZOL4YL)4OXO2(TRIFLUOROMETHYL)CHROMEN7YL)OXYACETATE
MFCD00857379
ZINC000002239983
ZINC02239983
ZINC2239983

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.