Vitas-M small molecule compound
3-(1-methyl-2,5-dioxo-4-phenyl-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoic acid
Catalog ID
STK781826
SMILES O=C1NC(c2ccccc2)C2=C(N1C)CN(C2=O)c1cccc(c1)C(=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 C20H17N3O4 MW 363.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O4/c1-22-15-11-23(14-9-5-8-13(10-14)19(25)26)18(24)16(15)17(21-20(22)27)12-6-3-2-4-7-12/h2-10,17H,11H2,1H3,(H,21,27)(H,25,26)InChIKey
FYJVAFRVYTWGRN-UHFFFAOYSA-NSynonyms
728016-41-93(1methyl25dioxo4phenyl123457hexahydro6Hpyrrolo(34d)pyrimidin6yl)benzoicacid
3(1methyl25dioxo4phenyl34dihydro1Hpyrrolo(34d)pyrimidin6(2H5H7H)yl)benzoicacid
3(1METHYL25DIOXO4PHENYL47DIHYDRO3HPYRROLO(34D)PYRIMIDIN6YL)BENZOICACID
728016419
CN1C2=C(C(NC1=O)C3=CC=CC=C3)C(=O)N(C2)C4=CC=CC(=C4)C(=O)O
InChI=1SC20H17N3O4c122151123(1495813(1014)19(25)26)18(24)16(15)17(2120(22)27)126324712h21017H11H21H3(H2127)(H2526)
MFCD06016074
ZINC000004726764
ZINC000004726774
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