Vitas-M small molecule compound
benzyl 5-(3-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STL222560
SMILES O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)C2C1C(=NN2)C(=O)OCc1ccccc1
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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 C19H14N4O6 MW 394.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N4O6/c24-17-14-15(18(25)22(17)12-7-4-8-13(9-12)23(27)28)20-21-16(14)19(26)29-10-11-5-2-1-3-6-11/h1-9,14-15,20H,10H2InChIKey
CEKOSPYTGYZEGO-UHFFFAOYSA-NSynonyms
1008290-79-61008290796
benzyl5(3nitrophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
BENZYL5(3NITROPHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
C1=CC=C(C=C1)COC(=O)C2=NNC3C2C(=O)N(C3=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC19H14N4O6c24171415(18(25)22(17)1274813(912)23(27)28)202116(14)19(26)2910115213611h19141520H10H2
MFCD04082458
O=C1N(c2cccc(c2)(N+)(=O)(O))C(=O)C2C1C(=NN2)C(=O)OCc1ccccc1
ZINC000005163505
ZINC000101101420
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