Vitas-M small molecule compound
methyl (4Z)-1-(3,4-dichlorophenyl)-4-[4-(methoxycarbonyl)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168427
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)C(=O)OC)c1ccc(c(c1)Cl)Cl
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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 C22H17Cl2NO5 MW 446.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17Cl2NO5/c1-12-19(22(28)30-3)16(10-13-4-6-14(7-5-13)21(27)29-2)20(26)25(12)15-8-9-17(23)18(24)11-15/h4-11H,1-3H3/b16-10-InChIKey
QFCGHRAROCYKLG-YBEGLDIGSA-NSynonyms
CC1=C(C(=CC2=CC=C(C=C2)C(=O)OC)C(=O)N1C3=CC(=C(C=C3)Cl)Cl)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)C(=O)OC)c1ccc(c(c1)Cl)Cl
InChI=1SC22H17Cl2NO5c11219(22(28)303)16(10134614(7513)21(27)292)20(26)25(12)158917(23)18(24)1115h411H13H3b1610
METHYL(4Z)1(34DICHLOROPHENYL)4((4METHOXYCARBONYLPHENYL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)1(34DICHLOROPHENYL)4(4(METHOXYCARBONYL)BENZYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD08680035
ZINC000009846945
ZINC09846945
ZINC9846945
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