Vitas-M small molecule compound
methyl 5-(4-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STL000985
SMILES COc1ccc(cc1)N1C(=O)C2C(C1=O)C(=NN2)C(=O)OC
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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 C14H13N3O5 MW 303.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N3O5/c1-21-8-5-3-7(4-6-8)17-12(18)9-10(13(17)19)15-16-11(9)14(20)22-2/h3-6,9-10,15H,1-2H3InChIKey
KBJMFMOBQVOSQL-UHFFFAOYSA-NSynonyms
331633-06-8331633068
COC1=CC=C(C=C1)N2C(=O)C3C(C2=O)NN=C3C(=O)OC
InChI=1SC14H13N3O5c1218537(468)1712(18)910(13(17)19)151611(9)14(20)222h3691015H12H3
methyl5(4methoxyphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(4METHOXYPHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD00684682
ZINC000017823172
ZINC000100810562
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