Vitas-M small molecule compound
ethyl (5Z)-5-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK837819
SMILES CCOC(=O)C1=C(C)N/C(=C\c2cc(n(c2C)c2cccc(c2)Cl)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 C21H21ClN2O3 MW 384.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O3/c1-5-27-21(26)19-13(3)23-18(20(19)25)10-15-9-12(2)24(14(15)4)17-8-6-7-16(22)11-17/h6-11,23H,5H2,1-4H3/b18-10-InChIKey
GPOFISDKRJOTAB-ZDLGFXPLSA-NSynonyms
(Z)ethyl5((1(3chlorophenyl)25dimethyl1Hpyrrol3yl)methylene)2methyl4oxo45dihydro1Hpyrrole3carboxylate
CCOC(=O)C1=C(C)NC(=Cc2cc(n(c2C)c2cccc(c2)Cl)C)C1=O
CCOC(=O)C1=C(NC(=CC2=C(N(C(=C2)C)C3=CC(=CC=C3)Cl)C)C1=O)C
ethyl(5Z)5((1(3chlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)2methyl4oxo45dihydro1Hpyrrole3carboxylate
ETHYL(5Z)5((1(3CHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL4OXO1HPYRROLE3CARBOXYLATE
InChI=1SC21H21ClN2O3c152721(26)1913(3)2318(20(19)25)1015912(2)24(14(15)4)1786716(22)1117h61123H5H214H3b1810
MFCD02219914
ZINC000019925543
ZINC19925543
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