Vitas-M small molecule compound
ethyl 5-(5-acetyl-2-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK777296
SMILES CCOC(=O)C1=NNC2C1C(=O)N(C2=O)c1cc(ccc1OC)C(=O)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 C17H17N3O6 MW 359.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O6/c1-4-26-17(24)14-12-13(18-19-14)16(23)20(15(12)22)10-7-9(8(2)21)5-6-11(10)25-3/h5-7,12-13,18H,4H2,1-3H3InChIKey
TXIBPILFQLURGF-UHFFFAOYSA-NSynonyms
956352-38-8956352388
CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=C(C=CC(=C3)C(=O)C)OC
ethyl5(5acetyl2methoxyphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL5(5ACETYL2METHOXYPHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC17H17N3O6c142617(24)141213(181914)16(23)20(15(12)22)1079(8(2)21)5611(10)253h57121318H4H213H3
MFCD03667782
ZINC000017837740
ZINC000100166183
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