Vitas-M small molecule compound

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

Catalog ID
STK755689
SMILES COC(=O)C1=NNC2(C1C(=O)N(C2=O)c1ccccc1)c1cccc(c1)[N+](=O)[O-]

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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/c1-29-17(25)15-14-16(24)22(12-7-3-2-4-8-12)18(26)19(14,21-20-15)11-6-5-9-13(10-11)23(27)28/h2-10,14,21H,1H3
InChIKey
IHDJIERXLABMQW-UHFFFAOYSA-N
Synonyms

COC(=O)C1=NNC2(C1C(=O)N(C2=O)c1ccccc1)c1cccc(c1)(N+)(=O)(O)
COC(=O)C1=NNC2(C1C(=O)N(C2=O)C3=CC=CC=C3)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC19H14N4O6c12917(25)151416(24)22(127324812)18(26)19(14212015)1165913(1011)23(27)28h2101421H1H3
methyl6a(3nitrophenyl)46dioxo5phenyl13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL6A(3NITROPHENYL)46DIOXO5PHENYL13ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD01031897
ZINC000001058212
ZINC000004474670

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Available files

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