Vitas-M small molecule compound
3-{5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-oxo-3,5-dihydro[1,2,4]triazino[2,3-a]benzimidazol-2-yl}propanoic acid
Catalog ID
STK111616
SMILES COc1cc(ccc1OC)C(=O)Cn1c2nc(=O)c(nn2c2c1cccc2)CCC(=O)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 C22H20N4O6 MW 436.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O6/c1-31-18-9-7-13(11-19(18)32-2)17(27)12-25-15-5-3-4-6-16(15)26-22(25)23-21(30)14(24-26)8-10-20(28)29/h3-7,9,11H,8,10,12H2,1-2H3,(H,28,29)InChIKey
YGCQRVMVJWRURD-UHFFFAOYSA-NSynonyms
3(5(2(34DIMETHOXYPHENYL)2OXOETHYL)3OXO(124)TRIAZINO(23A)BENZIMIDAZOL2YL)PROPANOICACID
3(5(2(34DIMETHOXYPHENYL)2OXOETHYL)3OXO35DIHYDRO(124)TRIAZINO(23A)BENZIMIDAZOL2YL)PROPANOICACID
COC1=C(C=C(C=C1)C(=O)CN2C3=CC=CC=C3N4C2=NC(=O)C(=N4)CCC(=O)O)OC
InChI=1SC22H20N4O6c131189713(1119(18)322)17(27)122515534616(15)2622(25)2321(30)14(2426)81020(28)29h37911H81012H212H3(H2829)
MFCD05996584
ZINC000001117086
ZINC1117086
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