Vitas-M small molecule compound
3-{5-[2-(4-methoxyphenyl)-2-oxoethyl]-3-oxo-3,5-dihydro[1,2,4]triazino[2,3-a]benzimidazol-2-yl}propanoic acid
Catalog ID
STK099458
SMILES COc1ccc(cc1)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 C21H18N4O5 MW 406.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O5/c1-30-14-8-6-13(7-9-14)18(26)12-24-16-4-2-3-5-17(16)25-21(24)22-20(29)15(23-25)10-11-19(27)28/h2-9H,10-12H2,1H3,(H,27,28)InChIKey
NOXNPEWMLQJXLE-UHFFFAOYSA-NSynonyms
3(5(2(4METHOXYPHENYL)2OXOETHYL)3OXO(124)TRIAZINO(23A)BENZIMIDAZOL2YL)PROPANOICACID
3(5(2(4METHOXYPHENYL)2OXOETHYL)3OXO35DIHYDRO(124)TRIAZINO(23A)BENZIMIDAZOL2YL)PROPANOICACID
COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N4C2=NC(=O)C(=N4)CCC(=O)O
COc1ccc(cc1)C(=O)Cn1c2nc(=O)c(nn2c2c1cccc2)CCC(=O)O
InChI=1SC21H18N4O5c130148613(7914)18(26)122416423517(16)2521(24)2220(29)15(2325)101119(27)28h29H1012H21H3(H2728)
MFCD02181542
STK099458
ZINC000001408827
ZINC1408827
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