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-methoxy-4-[(1-methyl-1H-imidazol-2-yl)methoxy]phenyl}propanoate
Catalog ID
STL551272
SMILES COC(=O)CC(C1=C(O)CC(C2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)c1ccc(c(c1)OC)OCc1nccn1C
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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 C32H33ClN2O10 MW 641.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33ClN2O10/c1-16-11-19(36)26(30(38)32(16)31(39)27-22(41-4)14-23(42-5)28(33)29(27)45-32)18(13-25(37)43-6)17-7-8-20(21(12-17)40-3)44-15-24-34-9-10-35(24)2/h7-10,12,14,16,18,36H,11,13,15H2,1-6H3InChIKey
GZESUKOMTUTETJ-UHFFFAOYSA-NSynonyms
InChI=1SC32H33ClN2O10c1161119(36)26(30(38)32(16)31(39)2722(414)1423(425)28(33)29(27)4532)18(1325(37)436)177820(21(1217)403)4415243491035(24)2h7101214161836H111315H216H3
methyl3(7chloro4hydroxy46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)3yl)3(3methoxy4((1methyl1Himidazol2yl)methoxy)phenyl)propanoate
MFCD31758040
ZINC000888089075
ZINC000888089078
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