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-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methoxyphenyl}propanoate
Catalog ID
STL550138
SMILES COC(=O)CC(C1=C(O)CC(C2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)c1ccc(c(c1)OCCc1ccc2c(c1)CCO2)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 C37H37ClO11 MW 693.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H37ClO11/c1-19-14-24(39)31(35(41)37(19)36(42)32-28(44-3)18-29(45-4)33(38)34(32)49-37)23(17-30(40)46-5)21-7-9-26(43-2)27(16-21)48-12-10-20-6-8-25-22(15-20)11-13-47-25/h6-9,15-16,18-19,23,39H,10-14,17H2,1-5H3InChIKey
DASTYIAKWPWSIQ-UHFFFAOYSA-NSynonyms
InChI=1SC37H37ClO11c1191424(39)31(35(41)37(19)36(42)3228(443)1829(454)33(38)34(32)4937)23(1730(40)465)217926(432)27(1621)48121020682522(1520)11134725h69151618192339H101417H215H3
methyl3(7chloro4hydroxy46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)3yl)3(3(2(23dihydro1benzofuran5yl)ethoxy)4methoxyphenyl)propanoate
MFCD31757419
ZINC000888089022
ZINC000888089025
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