Vitas-M small molecule compound
ethyl (5E)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160911
SMILES CCOC(=O)C1=C(C)N/C(=C/c2cc(n(c2C)c2ccc(cc2)F)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 C21H21FN2O3 MW 368.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN2O3/c1-5-27-21(26)19-13(3)23-18(20(19)25)11-15-10-12(2)24(14(15)4)17-8-6-16(22)7-9-17/h6-11,23H,5H2,1-4H3/b18-11+InChIKey
BERDWZSQGYIDJR-WOJGMQOQSA-NSynonyms
CCOC(=O)C1=C(C)NC(=Cc2cc(n(c2C)c2ccc(cc2)F)C)C1=O
CCOC(=O)C1=C(NC(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C)C1=O)C
ETHYL(5E)5((1(4FLUOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
ETHYL(5E)5((1(4FLUOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
ETHYL(5E)5((1(4FLUOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL4OXO1HPYRROLE3CARBOXYLATE
InChI=1SC21H21FN2O3c152721(26)1913(3)2318(20(19)25)11151012(2)24(14(15)4)178616(22)7917h61123H5H214H3b1811+
MFCD03922901
ZINC000004115474
ZINC4115474
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