Vitas-M small molecule compound
methyl 5-(3-bromophenyl)-1-nitroso-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STL004197
SMILES O=NN1N=C(C2C1C(=O)N(C2=O)c1cccc(c1)Br)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 C13H9BrN4O5 MW 381.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9BrN4O5/c1-23-13(21)9-8-10(18(15-9)16-22)12(20)17(11(8)19)7-4-2-3-6(14)5-7/h2-5,8,10H,1H3InChIKey
GWZKVOFSEDYVEX-UHFFFAOYSA-NSynonyms
1008208-53-41008208534
COC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC(=CC=C3)Br)N=O
InChI=1SC13H9BrN4O5c12313(21)9810(18(159)1622)12(20)17(11(8)19)74236(14)57h25810H1H3
methyl5(3bromophenyl)1nitroso46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(3BROMOPHENYL)1NITROSO46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD03690835
ZINC000005067503
ZINC000101014132
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