Vitas-M small molecule compound
methyl 3-(3-{(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK162458
SMILES COC(=O)c1cccc(c1)n1c(C)cc(c1C)/C=C\1/NC(=O)N(C1=O)c1cccc(c1)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 C24H20ClN3O4 MW 449.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20ClN3O4/c1-14-10-17(15(2)27(14)19-8-4-6-16(11-19)23(30)32-3)12-21-22(29)28(24(31)26-21)20-9-5-7-18(25)13-20/h4-13H,1-3H3,(H,26,31)/b21-12+InChIKey
PDGHYDGZEFBMQD-CIAFOILYSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)C=C3C(=O)N(C(=O)N3)C4=CC(=CC=C4)Cl
COC(=O)c1cccc(c1)n1c(C)cc(c1C)C=C1NC(=O)N(C1=O)c1cccc(c1)Cl
InChI=1SC24H20ClN3O4c1141017(15(2)27(14)1984616(1119)23(30)323)122122(29)28(24(31)2621)2095718(25)1320h413H13H3(H2631)b2112+
METHYL3(3((E)(1(3CHLOROPHENYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
METHYL3(3((E)(1(3CHLOROPHENYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
MFCD03719987
ZINC000009260626
ZINC09260626
ZINC9260626
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