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-methoxyphenyl)propanoate
Catalog ID
STL550539
SMILES COC(=O)CC(C1=C(O)CC(C2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)c1ccc(cc1)OC
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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 C27H27ClO9 MW 530.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClO9/c1-13-10-17(29)21(16(11-20(30)36-5)14-6-8-15(33-2)9-7-14)25(31)27(13)26(32)22-18(34-3)12-19(35-4)23(28)24(22)37-27/h6-9,12-13,16,29H,10-11H2,1-5H3InChIKey
AFRNEDPJYGUHSS-UHFFFAOYSA-NSynonyms
InChI=1SC27H27ClO9c1131017(29)21(16(1120(30)365)146815(332)9714)25(31)27(13)26(32)2218(343)1219(354)23(28)24(22)3727h6912131629H1011H215H3
methyl3(7chloro4hydroxy46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)3yl)3(4methoxyphenyl)propanoate
MFCD31757640
ZINC000888088973
ZINC000888088976
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