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-{2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl}propanoate
Catalog ID
STL549991
SMILES COC(=O)CC(c1ccccc1OCCc1ccc2c(c1)CCO2)C1=C(O)CC(C2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C
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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 C36H35ClO10 MW 663.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H35ClO10/c1-19-15-24(38)30(34(40)36(19)35(41)31-27(42-2)18-28(43-3)32(37)33(31)47-36)23(17-29(39)44-4)22-7-5-6-8-26(22)46-13-11-20-9-10-25-21(16-20)12-14-45-25/h5-10,16,18-19,23,38H,11-15,17H2,1-4H3InChIKey
PNYRLXFNIDTOJZ-UHFFFAOYSA-NSynonyms
InChI=1SC36H35ClO10c1191524(38)30(34(40)36(19)35(41)3127(422)1828(433)32(37)33(31)4736)23(1729(39)444)22756826(22)461311209102521(1620)12144525h5101618192338H111517H214H3
methyl3(7chloro4hydroxy46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)3yl)3(2(2(23dihydro1benzofuran5yl)ethoxy)phenyl)propanoate
MFCD31757331
ZINC000888089228
ZINC000888089231
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