Vitas-M small molecule compound
3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate
Catalog ID
STK922571
SMILES CCc1cc2c(cc1OC(=O)C)oc(c(c2=O)c1nc2c(s1)cccc2)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 C21H14F3NO4S MW 433.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14F3NO4S/c1-3-11-8-12-15(9-14(11)28-10(2)26)29-19(21(22,23)24)17(18(12)27)20-25-13-6-4-5-7-16(13)30-20/h4-9H,3H2,1-2H3InChIKey
NJXOWGCUGMEMQL-UHFFFAOYSA-NSynonyms
(3(13benzothiazol2yl)6ethyl4oxo2(trifluoromethyl)chromen7yl)acetate
3(13benzothiazol2yl)6ethyl4oxo2(trifluoromethyl)4Hchromen7ylacetate
3BENZOTHIAZOL2YL6ETHYL4OXO2(TRIFLUOROMETHYL)CHROMEN7YLACETATE
CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=NC4=CC=CC=C4S3)OC(=O)C
InChI=1SC21H14F3NO4Sc131181215(914(11)2810(2)26)2919(21(2223)24)17(18(12)27)202513645716(13)3020h49H3H212H3
MFCD01790524
ZINC000011867605
ZINC11867605
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