Vitas-M small molecule compound
ethyl (5E)-5-(3-ethoxy-4-hydroxybenzylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STL296445
SMILES CCOC(=O)C1=C(C)N/C(=C/c2ccc(c(c2)OCC)O)/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 C17H19NO5 MW 317.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19NO5/c1-4-22-14-9-11(6-7-13(14)19)8-12-16(20)15(10(3)18-12)17(21)23-5-2/h6-9,18-19H,4-5H2,1-3H3/b12-8+InChIKey
WIBUGJNSMIWYTM-XYOKQWHBSA-NSynonyms
(E)ethyl5(3ethoxy4hydroxybenzylidene)2methyl4oxo45dihydro1Hpyrrole3carboxylate
5(1(3ETHOXY4HYDROXYPHENYL)METH(E)YLIDENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(C)NC(=Cc2ccc(c(c2)OCC)O)C1=O
CCOC1=C(C=CC(=C1)C=C2C(=O)C(=C(N2)C)C(=O)OCC)O
ETHYL(5E)5((3ETHOXY4HYDROXYPHENYL)METHYLIDENE)2METHYL4OXO1HPYRROLE3CARBOXYLATE
ethyl(5E)5(3ethoxy4hydroxybenzylidene)2methyl4oxo45dihydro1Hpyrrole3carboxylate
InChI=1SC17H19NO5c142214911(6713(14)19)81216(20)15(10(3)1812)17(21)2352h691819H45H213H3b128+
MFCD01829424
ZINC000097831231
ZINC02834479
ZINC97831231
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