Vitas-M small molecule compound
3-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid
Catalog ID
STK782241
SMILES COc1ccc(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 C21H19N3O5 MW 393.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O5/c1-23-16-11-24(14-5-3-4-13(10-14)20(26)27)19(25)17(16)18(22-21(23)28)12-6-8-15(29-2)9-7-12/h3-10,18H,11H2,1-2H3,(H,22,28)(H,26,27)InChIKey
ROCMOCOQWWIWNZ-UHFFFAOYSA-NSynonyms
728035-86-73(4(4methoxyphenyl)1methyl25dioxo123457hexahydro6Hpyrrolo(34d)pyrimidin6yl)benzoicacid
3(4(4methoxyphenyl)1methyl25dioxo34dihydro1Hpyrrolo(34d)pyrimidin6(2H5H7H)yl)benzoicacid
3(4(4METHOXYPHENYL)1METHYL25DIOXO47DIHYDRO3HPYRROLO(34D)PYRIMIDIN6YL)BENZOICACID
728035867
CN1C2=C(C(NC1=O)C3=CC=C(C=C3)OC)C(=O)N(C2)C4=CC=CC(=C4)C(=O)O
InChI=1SC21H19N3O5c123161124(1453413(1014)20(26)27)19(25)17(16)18(2221(23)28)126815(292)9712h31018H11H212H3(H2228)(H2627)
MFCD06017238
ZINC000004727963
ZINC000004727964
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