Vitas-M small molecule compound
2-(4-chloro-3-nitrophenyl)-9-(4-fluorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
Catalog ID
STL002956
SMILES Fc1ccc(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 C20H16ClFN4O4 MW 430.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClFN4O4/c21-14-7-6-13(10-15(14)26(29)30)25-19(27)16-17(11-2-4-12(22)5-3-11)23-8-1-9-24(23)18(16)20(25)28/h2-7,10,16-18H,1,8-9H2InChIKey
TTXAYVNAUGHDQE-UHFFFAOYSA-NSynonyms
1005057-89-51005057895
2(4chloro3nitrophenyl)9(4fluorophenyl)hexahydro1Hpyrazolo(12a)pyrrolo(34c)pyrazole13(2H)dione
2(4chloro3nitrophenyl)9(4fluorophenyl)tetrahydro5Hpyrazolo(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=C(C=C5)F
Fc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC20H16ClFN4O4c21147613(1015(14)26(29)30)2519(27)1617(112412(22)5311)2381924(23)18(16)20(25)28h27101618H189H2
MFCD03288702
ZINC000019171424
ZINC000138559377
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