Vitas-M small molecule compound
(2R,3'E,6'R)-7-chloro-3'-(1-{[2-(5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl)ethyl]amino}ethylidene)-4,6-dimethoxy-6'-methyl-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Catalog ID
STL561897
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)/C(=C(\NCCC2C(=O)Nc3c2cc(F)cc3)/C)/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 C28H26ClFN2O7 MW 556.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClFN2O7/c1-12-9-18(33)21(13(2)31-8-7-15-16-10-14(30)5-6-17(16)32-27(15)36)25(34)28(12)26(35)22-19(37-3)11-20(38-4)23(29)24(22)39-28/h5-6,10-12,15,31H,7-9H2,1-4H3,(H,32,36)/b21-13+/t12-,15?,28+/m1/s1InChIKey
RPLMEIYVDTXUKM-BPRDSLDFSA-NSynonyms
(1R6RE)7chloro3(1((2(5fluoro2oxoindolin3yl)ethyl)amino)ethylidene)46dimethoxy6methyl3Hspiro(benzofuran21cyclohexane)234trione
(2R3E6R)7chloro3(1((2(5fluoro2oxo23dihydro1Hindol3yl)ethyl)amino)ethylidene)46dimethoxy6methyl2H3H4Hspiro(1benzofuran21cyclohexane)234trione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C(NCCC2C(=O)Nc3c2cc(F)cc3)C)C1=O)Cl
MFCD32650956
ZINC001848443435
ZINC001848443436
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