Vitas-M small molecule compound
methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2Z)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-yl]propanoate
Catalog ID
STL550287
SMILES COC(=O)CC(c1c(O)ccc2c1O/C(=C\N1CCOCC1)/C2=O)c1cc(OC)c(c(c1)OC)O
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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 C25H27NO9 MW 485.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO9/c1-31-18-10-14(11-19(32-2)24(18)30)16(12-21(28)33-3)22-17(27)5-4-15-23(29)20(35-25(15)22)13-26-6-8-34-9-7-26/h4-5,10-11,13,16,27,30H,6-9,12H2,1-3H3/b20-13-InChIKey
OJZPNCSVUYPMOZ-MOSHPQCFSA-NSynonyms
(Z)methyl3(6hydroxy2(morpholinomethylene)3oxo23dihydrobenzofuran7yl)3(4hydroxy35dimethoxyphenyl)propanoate
127253578
COC(=O)CC(c1c(O)ccc2c1OC(=CN1CCOCC1)C2=O)c1cc(OC)c(c(c1)OC)O
InChI=1SC25H27NO9c131181014(1119(322)24(18)30)16(1221(28)333)2217(27)541523(29)20(3525(15)22)132668349726h45101113162730H6912H213H3b2013
methyl3(4hydroxy35dimethoxyphenyl)3((2~(Z))6hydroxy2(morpholin4ylmethylidene)3oxo1benzofuran7yl)propanoate
methyl3(4hydroxy35dimethoxyphenyl)3((2Z)6hydroxy2(morpholin4ylmethylidene)3oxo23dihydro1benzofuran7yl)propanoate
MFCD31757499
ZINC000604404475
ZINC001081804413
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