Vitas-M small molecule compound

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

Catalog ID
STK710058
SMILES CCOC(=O)C1=NNC2C1C(=O)N(C2=O)c1ccc(c(c1)C)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 C16H17N3O4 MW 315.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O4/c1-4-23-16(22)13-11-12(17-18-13)15(21)19(14(11)20)10-6-5-8(2)9(3)7-10/h5-7,11-12,17H,4H2,1-3H3
InChIKey
MHFNJSXACBOZDX-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC(=C(C=C3)C)C
ethyl5(34dimethylphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL5(34DIMETHYLPHENYL)46DIOXO353A6ATETRAHYDRO235TRIAZAPENTALENECARBOXYLATE
ETHYL5(34DIMETHYLPHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC16H17N3O4c142316(22)131112(171813)15(21)19(14(11)20)10658(2)9(3)710h57111217H4H213H3
MFCD01031887
ZINC000018067708
ZINC000100057527

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Available files

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