Vitas-M small molecule compound
methyl 3-(1,3-benzodioxol-5-yl)-3-(7-chloro-4'-hydroxy-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-3'-yl)propanoate
Catalog ID
STL550393
SMILES COC(=O)CC(C1=C(O)CC(C2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)c1ccc2c(c1)OCO2
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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 C27H25ClO10 MW 544.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClO10/c1-12-7-15(29)21(14(9-20(30)35-4)13-5-6-16-17(8-13)37-11-36-16)25(31)27(12)26(32)22-18(33-2)10-19(34-3)23(28)24(22)38-27/h5-6,8,10,12,14,29H,7,9,11H2,1-4H3InChIKey
DLJXSOMPGCKPAA-UHFFFAOYSA-NSynonyms
InChI=1SC27H25ClO10c112715(29)21(14(920(30)354)13561617(813)37113616)25(31)27(12)26(32)2218(332)1019(343)23(28)24(22)3827h56810121429H7911H214H3
methyl3(13benzodioxol5yl)3(7chloro4hydroxy46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)3yl)propanoate
MFCD31757564
ZINC000888089741
ZINC000888089744
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