Vitas-M small molecule compound
2-(4-chloro-3-nitrophenyl)-9-phenyltetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
Catalog ID
STK997107
SMILES O=C1N(c2ccc(c(c2)[N+](=O)[O-])Cl)C(=O)C2C1C(c1ccccc1)N1N2CCC1
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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 C20H17ClN4O4 MW 412.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4O4/c21-14-8-7-13(11-15(14)25(28)29)24-19(26)16-17(12-5-2-1-3-6-12)22-9-4-10-23(22)18(16)20(24)27/h1-3,5-8,11,16-18H,4,9-10H2InChIKey
VSDIHQASPCYNQC-UHFFFAOYSA-NSynonyms
1005096-87-61005096876
2(4chloro3nitrophenyl)9phenylhexahydro1Hpyrazolo(12a)pyrrolo(34c)pyrazole13(2H)dione
2(4chloro3nitrophenyl)9phenyltetrahydro5Hpyrazolo(12a)pyrrolo(34c)pyrazole13(2H3aH)dione
C1CN2C(C3C(N2C1)C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)(N+)(=O)(O))C5=CC=CC=C5
InChI=1SC20H17ClN4O4c21148713(1115(14)25(28)29)2419(26)1617(125213612)22941023(22)18(16)20(24)27h1358111618H4910H2
MFCD03292890
O=C1N(c2ccc(c(c2)(N+)(=O)(O))Cl)C(=O)C2C1C(c1ccccc1)N1N2CCC1
ZINC000019169671
ZINC000245312544
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