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-(4-oxo-4H-chromen-3-yl)propanoate
Catalog ID
STL550257
SMILES COC(=O)CC(c1coc2c(c1=O)cccc2)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 C29H25ClO10 MW 568.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClO10/c1-13-9-17(31)22(15(10-21(32)38-4)16-12-39-18-8-6-5-7-14(18)25(16)33)27(34)29(13)28(35)23-19(36-2)11-20(37-3)24(30)26(23)40-29/h5-8,11-13,15,31H,9-10H2,1-4H3InChIKey
TYEADKPDUHEKCI-UHFFFAOYSA-NSynonyms
InChI=1SC29H25ClO10c113917(31)22(15(1021(32)384)16123918865714(18)25(16)33)27(34)29(13)28(35)2319(362)1120(373)24(30)26(23)4029h5811131531H910H214H3
methyl3(7chloro4hydroxy46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)3yl)3(4oxo4Hchromen3yl)propanoate
MFCD31757483
ZINC000888090341
ZINC000888090344
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