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)-4-methylpentanoate
Catalog ID
STL550602
SMILES COC(=O)CC(C1=C(O)CC(C2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)C(C)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 C23H27ClO8 MW 466.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27ClO8/c1-10(2)12(8-16(26)31-6)17-13(25)7-11(3)23(21(17)27)22(28)18-14(29-4)9-15(30-5)19(24)20(18)32-23/h9-12,25H,7-8H2,1-6H3InChIKey
AIJAWWPAPNSOKH-UHFFFAOYSA-NSynonyms
InChI=1SC23H27ClO8c110(2)12(816(26)316)1713(25)711(3)23(21(17)27)22(28)1814(294)915(305)19(24)20(18)3223h91225H78H216H3
methyl3(7chloro4hydroxy46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)3yl)4methylpentanoate
MFCD31757675
ZINC000888089400
ZINC000888089403
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