Vitas-M small molecule compound

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

Catalog ID
STK825751
SMILES CCOC(=O)C1=NNC2C1C(=O)N(C2=O)c1ccc(cc1)C

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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 C15H15N3O4 MW 301.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N3O4/c1-3-22-15(21)12-10-11(16-17-12)14(20)18(13(10)19)9-6-4-8(2)5-7-9/h4-7,10-11,16H,3H2,1-2H3
InChIKey
QQXQXQPYWRSPSW-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C
ethyl46dioxo5(ptolyl)13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ethyl5(4methylphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL5(4METHYLPHENYL)46DIOXO353A6ATETRAHYDRO235TRIAZAPENTALENECARBOXYLATE
ETHYL5(4METHYLPHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC15H15N3O4c132215(21)121011(161712)14(20)18(13(10)19)9648(2)579h47101116H3H212H3
MFCD00687178
ZINC000018202673
ZINC000100510413

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Available files

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