Vitas-M small molecule compound
4-[4-(4-chlorophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid
Catalog ID
STK695289
SMILES Clc1ccc(cc1)C1NC(=O)N(C2=C1C(=O)N(C2)c1ccc(cc1)C(=O)O)C
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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 C20H16ClN3O4 MW 397.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O4/c1-23-15-10-24(14-8-4-12(5-9-14)19(26)27)18(25)16(15)17(22-20(23)28)11-2-6-13(21)7-3-11/h2-9,17H,10H2,1H3,(H,22,28)(H,26,27)InChIKey
ZQWCUXPCIXKLPX-UHFFFAOYSA-NSynonyms
4(4(4chlorophenyl)1methyl25dioxo123457hexahydro6Hpyrrolo(34d)pyrimidin6yl)benzoicacid
4(4(4chlorophenyl)1methyl25dioxo47dihydro3Hpyrrolo(34d)pyrimidin6yl)benzoicacid
CN1C2=C(C(NC1=O)C3=CC=C(C=C3)Cl)C(=O)N(C2)C4=CC=C(C=C4)C(=O)O
InChI=1SC20H16ClN3O4c123151024(148412(5914)19(26)27)18(25)16(15)17(2220(23)28)112613(21)7311h2917H10H21H3(H2228)(H2627)
MFCD12035438
ZINC000035327551
ZINC000035327555
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