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-(3-hydroxy-4-methoxyphenyl)propanoate
Catalog ID
STL550396
SMILES COC(=O)CC(C1=C(O)CC(C2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)c1ccc(c(c1)O)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 C27H27ClO10 MW 546.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClO10/c1-12-8-16(30)21(14(10-20(31)37-5)13-6-7-17(34-2)15(29)9-13)25(32)27(12)26(33)22-18(35-3)11-19(36-4)23(28)24(22)38-27/h6-7,9,11-12,14,29-30H,8,10H2,1-5H3InChIKey
KOXPATSBKQHPKP-UHFFFAOYSA-NSynonyms
InChI=1SC27H27ClO10c112816(30)21(14(1020(31)375)136717(342)15(29)913)25(32)27(12)26(33)2218(353)1119(364)23(28)24(22)3827h6791112142930H810H215H3
methyl3(7chloro4hydroxy46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)3yl)3(3hydroxy4methoxyphenyl)propanoate
MFCD31757567
ZINC000888090604
ZINC000888090607
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