Vitas-M small molecule compound
(2R,3'Z,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-3'-({[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]amino}methylidene)-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Catalog ID
STL551198
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)/C(=C/Nc2ccc3c(c2)oc(=O)cc3C(F)(F)F)/C1=O)Cl
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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 C27H19ClF3NO8 MW 577.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19ClF3NO8/c1-11-6-16(33)14(10-32-12-4-5-13-15(27(29,30)31)8-20(34)39-17(13)7-12)24(35)26(11)25(36)21-18(37-2)9-19(38-3)22(28)23(21)40-26/h4-5,7-11,32H,6H2,1-3H3/b14-10-/t11-,26+/m1/s1InChIKey
NUIJRJJXMIDOFP-QKPSEVBMSA-NSynonyms
(1R6RZ)7chloro46dimethoxy6methyl3(((2oxo4(trifluoromethyl)2Hchromen7yl)amino)methylene)3Hspiro(benzofuran21cyclohexane)234trione
(2R3Z6R)7chloro46dimethoxy6methyl3(((2oxo4(trifluoromethyl)2Hchromen7yl)amino)methylidene)2H3H4Hspiro(1benzofuran21cyclohexane)234trione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=CNc2ccc3c(c2)oc(=O)cc3C(F)(F)F)C1=O)Cl
InChI=1SC27H19ClF3NO8c111616(33)14(103212451315(27(2930)31)820(34)3917(13)712)24(35)26(11)25(36)2118(372)919(383)22(28)23(21)4026h4571132H6H213H3b1410t1126+m1s1
ZINC000824567128
Check stock
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