Vitas-M small molecule compound
9-(4-methylphenyl)-2-(3-nitrophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
Catalog ID
STK535315
SMILES Cc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)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 C21H20N4O4 MW 392.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4/c1-13-6-8-14(9-7-13)18-17-19(23-11-3-10-22(18)23)21(27)24(20(17)26)15-4-2-5-16(12-15)25(28)29/h2,4-9,12,17-19H,3,10-11H2,1H3InChIKey
VWRNPGRNJQVQRQ-UHFFFAOYSA-NSynonyms
2(3nitrophenyl)9(ptolyl)hexahydro1Hpyrazolo(12a)pyrrolo(34c)pyrazole13(2H)dione
9(4methylphenyl)2(3nitrophenyl)tetrahydro5Hpyrazolo(12a)pyrrolo(34c)pyrazole13(2H3aH)dione
CC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC(=CC=C4)(N+)(=O)(O))N5N2CCC5
Cc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H20N4O4c1136814(9713)181719(231131022(18)23)21(27)24(20(17)26)1542516(1215)25(28)29h249121719H31011H21H3
MFCD02990451
ZINC000019169580
ZINC000138549579
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