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-(3,4-dimethoxyphenyl)propanoate
Catalog ID
STL549561
SMILES COC(=O)CC(C1=C(O)CC(C2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)c1ccc(c(c1)OC)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 C28H29ClO10 MW 560.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29ClO10/c1-13-9-16(30)22(15(11-21(31)38-6)14-7-8-17(34-2)18(10-14)35-3)26(32)28(13)27(33)23-19(36-4)12-20(37-5)24(29)25(23)39-28/h7-8,10,12-13,15,30H,9,11H2,1-6H3InChIKey
KYIRZQBOFNOSCP-UHFFFAOYSA-NSynonyms
InChI=1SC28H29ClO10c113916(30)22(15(1121(31)386)147817(342)18(1014)353)26(32)28(13)27(33)2319(364)1220(375)24(29)25(23)3928h781012131530H911H216H3
methyl3(7chloro4hydroxy46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)3yl)3(34dimethoxyphenyl)propanoate
MFCD31757055
ZINC000888089848
ZINC000888089851
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Check stock on Vitas-MAvailable files
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