Vitas-M small molecule compound
ethyl (5E)-5-{[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160915
SMILES CCOC(=O)C1=C(C)N/C(=C/c2cc(n(c2C)c2ccc(c(c2)Cl)OC)C)/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 C22H23ClN2O4 MW 414.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN2O4/c1-6-29-22(27)20-13(3)24-18(21(20)26)10-15-9-12(2)25(14(15)4)16-7-8-19(28-5)17(23)11-16/h7-11,24H,6H2,1-5H3/b18-10+InChIKey
IYRDAHIPIKQHHT-VCHYOVAHSA-NSynonyms
CCOC(=O)C1=C(C)NC(=Cc2cc(n(c2C)c2ccc(c(c2)Cl)OC)C)C1=O
CCOC(=O)C1=C(NC(=CC2=C(N(C(=C2)C)C3=CC(=C(C=C3)OC)Cl)C)C1=O)C
ETHYL(5E)5((1(3CHLORO4METHOXYPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
ethyl(5E)5((1(3chloro4methoxyphenyl)25dimethylpyrrol3yl)methylidene)2methyl4oxo1Hpyrrole3carboxylate
InChI=1SC22H23ClN2O4c162922(27)2013(3)2418(21(20)26)1015912(2)25(14(15)4)167819(285)17(23)1116h71124H6H215H3b1810+
MFCD04087211
ZINC000004679400
ZINC04679400
ZINC4679400
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