Vitas-M small molecule compound
ethyl 5-(4-chlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK825634
SMILES CCOC(=O)C1=NNC2C1C(=O)N(C2=O)c1ccc(cc1)Cl
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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 C14H12ClN3O4 MW 321.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12ClN3O4/c1-2-22-14(21)11-9-10(16-17-11)13(20)18(12(9)19)8-5-3-7(15)4-6-8/h3-6,9-10,16H,2H2,1H3InChIKey
DUSKOZOKHATRJQ-UHFFFAOYSA-NSynonyms
321522-07-0321522070
CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC=C(C=C3)Cl
ethyl5(4chlorophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL5(4CHLOROPHENYL)46DIOXO1H3AH4H5H6H6AHPYRROLO(34C)PYRAZOLE3CARBOXYLATE
ETHYL5(4CHLOROPHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC14H12ClN3O4c122214(21)11910(161711)13(20)18(12(9)19)8537(15)468h3691016H2H21H3
MFCD00687179
ZINC000018007528
ZINC000100510423
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