Vitas-M small molecule compound
1-methyl-4-(4-methylphenyl)-6-(3-nitrophenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Catalog ID
STK691422
SMILES Cc1ccc(cc1)C1NC(=O)N(C2=C1C(=O)N(C2)c1cccc(c1)[N+](=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 C20H18N4O4 MW 378.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O4/c1-12-6-8-13(9-7-12)18-17-16(22(2)20(26)21-18)11-23(19(17)25)14-4-3-5-15(10-14)24(27)28/h3-10,18H,11H2,1-2H3,(H,21,26)InChIKey
OAWJHDJDBKWGBO-UHFFFAOYSA-NSynonyms
1methyl4(4methylphenyl)6(3nitrophenyl)3467tetrahydro1Hpyrrolo(34d)pyrimidine25dione
1methyl4(4methylphenyl)6(3nitrophenyl)47dihydro3Hpyrrolo(34d)pyrimidine25dione
CC1=CC=C(C=C1)C2C3=C(CN(C3=O)C4=CC(=CC=C4)(N+)(=O)(O))N(C(=O)N2)C
Cc1ccc(cc1)C1NC(=O)N(C2=C1C(=O)N(C2)c1cccc(c1)(N+)(=O)(O))C
InChI=1SC20H18N4O4c1126813(9712)181716(22(2)20(26)2118)1123(19(17)25)1443515(1014)24(27)28h31018H11H212H3(H2126)
MFCD09064432
ZINC000012447682
ZINC000012447683
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