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-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)propanoate
Catalog ID
STL551425
SMILES COC(=O)CC(C1=C(O)CC(C2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)c1ccc2c(c1)n(C)c(=O)n2C
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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 C29H29ClN2O9 MW 585.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29ClN2O9/c1-13-9-18(33)22(15(11-21(34)40-6)14-7-8-16-17(10-14)32(3)28(37)31(16)2)26(35)29(13)27(36)23-19(38-4)12-20(39-5)24(30)25(23)41-29/h7-8,10,12-13,15,33H,9,11H2,1-6H3InChIKey
KHIGRQHXEXPAFZ-UHFFFAOYSA-NSynonyms
InChI=1SC29H29ClN2O9c113918(33)22(15(1121(34)406)14781617(1014)32(3)28(37)31(16)2)26(35)29(13)27(36)2319(384)1220(395)24(30)25(23)4129h781012131533H911H216H3
methyl3(7chloro4hydroxy46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)3yl)3(13dimethyl2oxo23dihydro1Hbenzimidazol5yl)propanoate
MFCD31758134
ZINC000888089131
ZINC000888089134
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