Vitas-M small molecule compound
methyl 5-(2,6-dichlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK825639
SMILES COC(=O)C1=NNC2C1C(=O)N(C2=O)c1c(Cl)cccc1Cl
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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 C13H9Cl2N3O4 MW 342.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9Cl2N3O4/c1-22-13(21)9-7-8(16-17-9)12(20)18(11(7)19)10-5(14)3-2-4-6(10)15/h2-4,7-8,16H,1H3InChIKey
SQGBKDUHCPZOOZ-UHFFFAOYSA-NSynonyms
COC(=O)C1=NNC2C1C(=O)N(C2=O)C3=C(C=CC=C3Cl)Cl
InChI=1SC13H9Cl2N3O4c12213(21)978(16179)12(20)18(11(7)19)105(14)3246(10)15h247816H1H3
methyl5(26dichlorophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(26DICHLOROPHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD01188395
ZINC000004811560
ZINC000100617576
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