Vitas-M small molecule compound

ethyl 5-(4-chloro-3-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate

Catalog ID
STK545881
SMILES CCOC(=O)C1=NNC2C1C(=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 C14H11ClN4O6 MW 366.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11ClN4O6/c1-2-25-14(22)11-9-10(16-17-11)13(21)18(12(9)20)6-3-4-7(15)8(5-6)19(23)24/h3-5,9-10,16H,2H2,1H3
InChIKey
RKHGLKNDPDRRCI-UHFFFAOYSA-N
Synonyms
956184-95-5
956184955
CCOC(=O)C1=NNC2C1C(=O)N(C2=O)c1ccc(c(c1)(N+)(=O)(O))Cl
CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
ethyl5(4chloro3nitrophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL5(4CHLORO3NITROPHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC14H11ClN4O6c122514(22)11910(161711)13(21)18(12(9)20)6347(15)8(56)19(23)24h3591016H2H21H3
MFCD03287371
ZINC000004898504
ZINC000100831114

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Available files

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