Vitas-M small molecule compound
methyl (4Z)-4-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-1-(3-methylphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK165159
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1cccc(c1)Cl)C)c1cccc(c1)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 C27H25ClN2O3 MW 460.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN2O3/c1-16-8-6-10-22(12-16)30-19(4)25(27(32)33-5)24(26(30)31)14-20-13-17(2)29(18(20)3)23-11-7-9-21(28)15-23/h6-15H,1-5H3/b24-14-InChIKey
XPFHKVYHORWGIQ-OYKKKHCWSA-NSynonyms
CC1=CC(=CC=C1)N2C(=C(C(=CC3=C(N(C(=C3)C)C4=CC(=CC=C4)Cl)C)C2=O)C(=O)OC)C
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1cccc(c1)Cl)C)c1cccc(c1)C
InChI=1SC27H25ClN2O3c116861022(1216)3019(4)25(27(32)335)24(26(30)31)14201317(2)29(18(20)3)23117921(28)1523h615H15H3b2414
METHYL(4Z)4((1(3CHLOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL1(3METHYLPHENYL)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(3CHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL1(3METHYLPHENYL)5OXOPYRROLE3CARBOXYLATE
MFCD03068005
ZINC000000654654
ZINC00654654
ZINC654654
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