Vitas-M small molecule compound
3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid
Catalog ID
STK580985
SMILES Brc1ccc(cc1)C1NC(=O)N(C2=C1C(=O)N(C2)c1cccc(c1)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 C20H16BrN3O4 MW 442.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrN3O4/c1-23-15-10-24(14-4-2-3-12(9-14)19(26)27)18(25)16(15)17(22-20(23)28)11-5-7-13(21)8-6-11/h2-9,17H,10H2,1H3,(H,22,28)(H,26,27)InChIKey
ASGXLVNLKRCUIP-UHFFFAOYSA-NSynonyms
902324-29-23(4(4bromophenyl)1methyl25dioxo123457hexahydro6Hpyrrolo(34d)pyrimidin6yl)benzoicacid
3(4(4bromophenyl)1methyl25dioxo34dihydro1Hpyrrolo(34d)pyrimidin6(2H5H7H)yl)benzoicacid
3(4(4BROMOPHENYL)1METHYL25DIOXO47DIHYDRO3HPYRROLO(34D)PYRIMIDIN6YL)BENZOICACID
902324292
CN1C2=C(C(NC1=O)C3=CC=C(C=C3)Br)C(=O)N(C2)C4=CC=CC(=C4)C(=O)O
InChI=1SC20H16BrN3O4c123151024(1442312(914)19(26)27)18(25)16(15)17(2220(23)28)115713(21)8611h2917H10H21H3(H2228)(H2627)
MFCD06790784
ZINC000009348747
ZINC000009348749
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