Vitas-M small molecule compound
methyl (5E)-5-{[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160910
SMILES COC(=O)C1=C(C)N/C(=C/c2cc(n(c2C)c2ccc(c(c2)Cl)C)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/c1-11-6-7-16(10-17(11)22)24-12(2)8-15(14(24)4)9-18-20(25)19(13(3)23-18)21(26)27-5/h6-10,23H,1-5H3/b18-9+InChIKey
YANQHKPQYWCPNB-GIJQJNRQSA-NSynonyms
CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)C(=C(N3)C)C(=O)OC)C)Cl
COC(=O)C1=C(C)NC(=Cc2cc(n(c2C)c2ccc(c(c2)Cl)C)C)C1=O
InChI=1SC21H21ClN2O3c1116716(1017(11)22)2412(2)815(14(24)4)91820(25)19(13(3)2318)21(26)275h61023H15H3b189+
METHYL(5E)5((1(3CHLORO4METHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(5E)5((1(3CHLORO4METHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL4OXO1HPYRROLE3CARBOXYLATE
MFCD04087209
ZINC000001106893
ZINC01106893
ZINC1106893
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