Vitas-M small molecule compound
ethyl 5-(4-bromophenyl)-4,6-dioxo-1-(3-oxobutyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK550529
SMILES CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccc(cc1)Br)CCC(=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 C18H18BrN3O5 MW 436.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrN3O5/c1-3-27-18(26)14-13-15(21(20-14)9-8-10(2)23)17(25)22(16(13)24)12-6-4-11(19)5-7-12/h4-7,13,15H,3,8-9H2,1-2H3InChIKey
XSIBGWBWCQDLDE-UHFFFAOYSA-NSynonyms
1024159-70-31024159703
CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC=C(C=C3)Br)CCC(=O)C
ethyl5(4bromophenyl)46dioxo1(3oxobutyl)13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL5(4BROMOPHENYL)46DIOXO1(3OXOBUTYL)3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC18H18BrN3O5c132718(26)141315(21(2014)9810(2)23)17(25)22(16(13)24)126411(19)5712h471315H389H212H3
MFCD03670959
ZINC000018167272
ZINC000226972915
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