Vitas-M small molecule compound
ethyl (5Z)-2-methyl-4-oxo-5-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160864
SMILES CCOC(=O)C1=C(C)N/C(=C\c2cc(OC)c(c(c2)OC)OC)/C1=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 C18H21NO6 MW 347.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO6/c1-6-25-18(21)15-10(2)19-12(16(15)20)7-11-8-13(22-3)17(24-5)14(9-11)23-4/h7-9,19H,6H2,1-5H3/b12-7-InChIKey
OKRJZJPCAGJAJR-GHXNOFRVSA-NSynonyms
CCOC(=O)C1=C(C)NC(=Cc2cc(OC)c(c(c2)OC)OC)C1=O
CCOC(=O)C1=C(NC(=CC2=CC(=C(C(=C2)OC)OC)OC)C1=O)C
ETHYL(5Z)2METHYL4OXO5((345TRIMETHOXYPHENYL)METHYLIDENE)1HPYRROLE3CARBOXYLATE
ETHYL(5Z)2METHYL4OXO5(345TRIMETHOXYBENZYLIDENE)45DIHYDRO1HPYRROLE3CARBOXYLATE
InChI=1SC18H21NO6c162518(21)1510(2)1912(16(15)20)711813(223)17(245)14(911)234h7919H6H215H3b127
MFCD04087199
ZINC000019859105
ZINC19859105
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