Vitas-M small molecule compound
ethyl 4-[3-hydroxy-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-1-yl]benzoate
Catalog ID
STK773089
SMILES CCOC(=O)c1ccc(cc1)N1C2=C(C(C1=O)(O)C(F)(F)F)C(=O)CC(C2)(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 C20H20F3NO5 MW 411.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20F3NO5/c1-4-29-16(26)11-5-7-12(8-6-11)24-13-9-18(2,3)10-14(25)15(13)19(28,17(24)27)20(21,22)23/h5-8,28H,4,9-10H2,1-3H3InChIKey
KKNKTXBMIQSTCK-UHFFFAOYSA-NSynonyms
587007-01-0587007010
CCOC(=O)C1=CC=C(C=C1)N2C3=C(C(=O)CC(C3)(C)C)C(C2=O)(C(F)(F)F)O
ethyl4(3hydroxy66dimethyl24dioxo3(trifluoromethyl)234567hexahydro1Hindol1yl)benzoate
ETHYL4(3HYDROXY66DIMETHYL24DIOXO3(TRIFLUOROMETHYL)57DIHYDROINDOL1YL)BENZOATE
InChI=1SC20H20F3NO5c142916(26)115712(8611)2413918(23)1014(25)15(13)19(2817(24)27)20(2122)23h5828H4910H213H3
MFCD03821238
ZINC000002396768
ZINC000002396769
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