Vitas-M small molecule compound
methyl 3-(7-chloro-4'-hydroxy-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-3'-yl)-3-(3,4,5-trifluorophenyl)propanoate
Catalog ID
STL549641
SMILES COC(=O)CC(C1=C(O)CC(C2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)c1cc(F)c(c(c1)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 C26H22ClF3O8 MW 554.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClF3O8/c1-10-5-15(31)19(12(8-18(32)37-4)11-6-13(28)22(30)14(29)7-11)24(33)26(10)25(34)20-16(35-2)9-17(36-3)21(27)23(20)38-26/h6-7,9-10,12,31H,5,8H2,1-4H3InChIKey
BJVAHWQVOBNDRY-UHFFFAOYSA-NSynonyms
InChI=1SC26H22ClF3O8c110515(31)19(12(818(32)374)11613(28)22(30)14(29)711)24(33)26(10)25(34)2016(352)917(363)21(27)23(20)3826h679101231H58H214H3
methyl3(7chloro4hydroxy46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)3yl)3(345trifluorophenyl)propanoate
MFCD31757112
ZINC000888090099
ZINC000888090102
Check stock
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Check stock on Vitas-MAvailable files
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