Vitas-M small molecule compound
ethyl 5-(4-bromophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK710059
SMILES CCOC(=O)C1=NNC2C1C(=O)N(C2=O)c1ccc(cc1)Br
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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 C14H12BrN3O4 MW 366.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12BrN3O4/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
QHTIJLSTFOWNOL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC=C(C=C3)Br
ethyl5(4bromophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL5(4BROMOPHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC14H12BrN3O4c122214(21)11910(161711)13(20)18(12(9)19)8537(15)468h3691016H2H21H3
MFCD00684677
ZINC000018100608
ZINC000097958256
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