Vitas-M small molecule compound
methyl (4Z)-4-{[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161487
SMILES COC(=O)C1=C(C)NC(=O)/C/1=C\c1cc(n(c1C)c1ccc(c(c1)Cl)C)C
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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(10-18(11)22)24-12(2)8-15(14(24)4)9-17-19(21(26)27-5)13(3)23-20(17)25/h6-10H,1-5H3,(H,23,25)/b17-9-InChIKey
QLYAEKAVCZYZRC-MFOYZWKCSA-NSynonyms
CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=C3C(=C(NC3=O)C)C(=O)OC)C)Cl
COC(=O)C1=C(C)NC(=O)C1=Cc1cc(n(c1C)c1ccc(c(c1)Cl)C)C
InChI=1SC21H21ClN2O3c1116716(1018(11)22)2412(2)815(14(24)4)91719(21(26)275)13(3)2320(17)25h610H15H3(H2325)b179
METHYL(4Z)4((1(3CHLORO4METHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(3CHLORO4METHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL5OXO1HPYRROLE3CARBOXYLATE
MFCD03259740
ZINC000014009504
ZINC14009504
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