Vitas-M small molecule compound
methyl (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
STK160872
SMILES COC(=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 C20H19ClN2O3 MW 370.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN2O3/c1-11-8-14(13(3)23(11)16-7-5-6-15(21)10-16)9-17-19(24)18(12(2)22-17)20(25)26-4/h5-10,22H,1-4H3/b17-9-InChIKey
AUKQVYVPZAMOSW-MFOYZWKCSA-NSynonyms
CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)C=C3C(=O)C(=C(N3)C)C(=O)OC
COC(=O)C1=C(C)NC(=Cc2cc(n(c2C)c2cccc(c2)Cl)C)C1=O
InChI=1SC20H19ClN2O3c111814(13(3)23(11)1675615(21)1016)91719(24)18(12(2)2217)20(25)264h51022H14H3b179
METHYL(5Z)5((1(3CHLOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(5Z)5((1(3CHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL4OXO1HPYRROLE3CARBOXYLATE
MFCD02229179
ZINC000019859112
ZINC19859112
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