Vitas-M small molecule compound
methyl 4-{[(2,4-dichlorophenyl)carbonyl]amino}-2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK696090
SMILES CCCN1C(=C(C(C1=O)(NC(=O)c1ccc(cc1Cl)Cl)C(F)(F)F)C(=O)OC)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 C18H17Cl2F3N2O4 MW 453.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17Cl2F3N2O4/c1-4-7-25-9(2)13(15(27)29-3)17(16(25)28,18(21,22)23)24-14(26)11-6-5-10(19)8-12(11)20/h5-6,8H,4,7H2,1-3H3,(H,24,26)InChIKey
HBBLGFONLNUTRB-UHFFFAOYSA-NSynonyms
CCCN1C(=C(C(C1=O)(C(F)(F)F)NC(=O)C2=C(C=C(C=C2)Cl)Cl)C(=O)OC)C
InChI=1SC18H17Cl2F3N2O4c147259(2)13(15(27)293)17(16(25)2818(2122)23)2414(26)116510(19)812(11)20h568H47H213H3(H2426)
methyl4(((24dichlorophenyl)carbonyl)amino)2methyl5oxo1propyl4(trifluoromethyl)45dihydro1Hpyrrole3carboxylate
methyl4((24dichlorobenzoyl)amino)2methyl5oxo1propyl4(trifluoromethyl)pyrrole3carboxylate
MFCD06177040
ZINC000012411066
ZINC000012411068
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