Vitas-M small molecule compound
2-(4-chloro-3-nitrophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
Catalog ID
STK997783
SMILES Cc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C21H19ClN4O4 MW 426.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O4/c1-12-3-5-13(6-4-12)18-17-19(24-10-2-9-23(18)24)21(28)25(20(17)27)14-7-8-15(22)16(11-14)26(29)30/h3-8,11,17-19H,2,9-10H2,1H3InChIKey
QKJYOWDIFZIZCD-UHFFFAOYSA-NSynonyms
1022582-67-71022582677
2(4chloro3nitrophenyl)9(4methylphenyl)tetrahydro5Hpyrazolo(12a)pyrrolo(34c)pyrazole13(2H3aH)dione
2(4chloro3nitrophenyl)9(ptolyl)hexahydro1Hpyrazolo(12a)pyrrolo(34c)pyrazole13(2H)dione
CC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)(N+)(=O)(O))N5N2CCC5
Cc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC21H19ClN4O4c1123513(6412)181719(24102923(18)24)21(28)25(20(17)27)147815(22)16(1114)26(29)30h38111719H2910H21H3
MFCD03301730
ZINC000019171566
ZINC000138563547
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