Vitas-M small molecule compound
ethyl 4-{(4Z)-4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl}benzoate
Catalog ID
STL432648
SMILES CCOC(=O)c1ccc(cc1)N1NC(=O)/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)/C1=O
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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 C22H20N4O5 MW 420.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O5/c1-4-31-21(29)14-6-8-15(9-7-14)26-20(28)16(19(27)23-26)11-13-5-10-17-18(12-13)25(3)22(30)24(17)2/h5-12H,4H2,1-3H3,(H,23,27)/b16-11-InChIKey
MLTAZXJWHOHOPP-WJDWOHSUSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)N(C(=O)N4C)C)C(=O)N2
CCOC(=O)c1ccc(cc1)N1NC(=O)C(=Cc2ccc3c(c2)n(C)c(=O)n3C)C1=O
ethyl4((4Z)4((13dimethyl2oxo23dihydro1Hbenzimidazol5yl)methylidene)35dioxopyrazolidin1yl)benzoate
ETHYL4((4Z)4((13DIMETHYL2OXOBENZIMIDAZOL5YL)METHYLIDENE)35DIOXOPYRAZOLIDIN1YL)BENZOATE
ETHYL4(4((13DIMETHYL2OXO23DIHYDRO1HBENZIMIDAZOL5YL)METHYLENE)35DIOXO1PYRAZOLIDINYL)BENZOATE
InChI=1SC22H20N4O5c143121(29)146815(9714)2620(28)16(19(27)2326)11135101718(1213)25(3)22(30)24(17)2h512H4H213H3(H2327)b1611
MFCD03722354
ZINC000006492069
ZINC06492069
ZINC6492069
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