Vitas-M small molecule compound
butyl 4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
Catalog ID
STK991367
SMILES CCCCOC(=O)c1ccc(cc1)N1CC(=O)C(=C1N)c1nc2c([nH]1)cccc2
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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 C22H22N4O3 MW 390.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3/c1-2-3-12-29-22(28)14-8-10-15(11-9-14)26-13-18(27)19(20(26)23)21-24-16-6-4-5-7-17(16)25-21/h4-11H,2-3,12-13,23H2,1H3,(H,24,25)InChIKey
NKNYGGHPAMHMLF-UHFFFAOYSA-NSynonyms
BUTYL4(2AMINO3BENZIMIDAZOL2YL4OXO2PYRROLINYL)BENZOATE
butyl4(5amino4(1Hbenzimidazol2yl)3oxo23dihydro1Hpyrrol1yl)benzoate
butyl4(5amino4(1Hbenzimidazol2yl)3oxo2Hpyrrol1yl)benzoate
CCCCOC(=O)C1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4N3
CCCCOC(=O)c1ccc(cc1)N1CC(=O)C(=C1N)c1nc2c((nH)1)cccc2
InChI=1SC22H22N4O3c123122922(28)1481015(11914)261318(27)19(20(26)23)212416645717(16)2521h411H23121323H21H3(H2425)
MFCD07189677
ZINC000005009286
ZINC05009286
ZINC5009286
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