Vitas-M small molecule compound
1,3-dimethyl-5-(3-methylphenyl)-6-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Catalog ID
STL047981
SMILES Cc1cccc(c1)c1n(cc2c1c(=O)n(c(=O)n2C)C)c1cccc(c1)[N+](=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 C21H18N4O4 MW 390.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4/c1-13-6-4-7-14(10-13)19-18-17(22(2)21(27)23(3)20(18)26)12-24(19)15-8-5-9-16(11-15)25(28)29/h4-12H,1-3H3InChIKey
KBLVVTKFNALOAR-UHFFFAOYSA-NSynonyms
714926-90-613dimethyl5(3methylphenyl)6(3nitrophenyl)1Hpyrrolo(34d)pyrimidine24(3H6H)dione
13DIMETHYL5(3METHYLPHENYL)6(3NITROPHENYL)PYRROLO(34D)PYRIMIDINE24DIONE
13dimethyl6(3nitrophenyl)5(mtolyl)1Hpyrrolo(34d)pyrimidine24(3H6H)dione
714926906
CC1=CC=CC(=C1)C2=C3C(=CN2C4=CC(=CC=C4)(N+)(=O)(O))N(C(=O)N(C3=O)C)C
Cc1cccc(c1)c1n(cc2c1c(=O)n(c(=O)n2C)C)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H18N4O4c11364714(1013)191817(22(2)21(27)23(3)20(18)26)1224(19)1585916(1115)25(28)29h412H13H3
MFCD04177904
ZINC000005155987
ZINC05155987
ZINC5155987
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