Vitas-M small molecule compound
9-(4-methylphenyl)-2-(4-nitrophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
Catalog ID
STK535888
SMILES Cc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)c1ccc(cc1)[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/c1-13-3-5-14(6-4-13)18-17-19(23-12-2-11-22(18)23)21(27)24(20(17)26)15-7-9-16(10-8-15)25(28)29/h3-10,17-19H,2,11-12H2,1H3InChIKey
YNWBRRBQCXJGCX-UHFFFAOYSA-NSynonyms
2(4nitrophenyl)9(ptolyl)hexahydro1Hpyrazolo(12a)pyrrolo(34c)pyrazole13(2H)dione
9(4methylphenyl)2(4nitrophenyl)tetrahydro5Hpyrazolo(12a)pyrrolo(34c)pyrazole13(2H3aH)dione
CC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)(N+)(=O)(O))N5N2CCC5
Cc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC21H20N4O4c1133514(6413)181719(231221122(18)23)21(27)24(20(17)26)157916(10815)25(28)29h3101719H21112H21H3
MFCD02997671
ZINC000019169598
ZINC000138549866
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