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-hydroxyphenyl)propanoate
Catalog ID
STL549346
SMILES COC(=O)CC(C1=C(O)CC(C2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)c1ccc(cc1)O
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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 C26H25ClO9 MW 516.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClO9/c1-12-9-16(29)20(15(10-19(30)35-4)13-5-7-14(28)8-6-13)24(31)26(12)25(32)21-17(33-2)11-18(34-3)22(27)23(21)36-26/h5-8,11-12,15,28-29H,9-10H2,1-4H3InChIKey
MZQYHZRQXNYTPU-UHFFFAOYSA-NSynonyms
InChI=1SC26H25ClO9c112916(29)20(15(1019(30)354)135714(28)8613)24(31)26(12)25(32)2117(332)1118(343)22(27)23(21)3626h581112152829H910H214H3
methyl3(7chloro4hydroxy46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)3yl)3(4hydroxyphenyl)propanoate
MFCD31756932
ZINC000888089174
ZINC000888089177
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