Vitas-M small molecule compound
methyl 1-(4-chlorophenyl)-5-(2-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STL000735
SMILES COC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccccc1OC)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 C20H16ClN3O5 MW 413.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O5/c1-28-14-6-4-3-5-13(14)23-18(25)15-16(20(27)29-2)22-24(17(15)19(23)26)12-9-7-11(21)8-10-12/h3-10,15,17H,1-2H3InChIKey
QAVKCTBJJVXIIA-UHFFFAOYSA-NSynonyms
958944-16-6958944166
COC1=CC=CC=C1N2C(=O)C3C(C2=O)N(N=C3C(=O)OC)C4=CC=C(C=C4)Cl
InChI=1SC20H16ClN3O5c12814643513(14)2318(25)1516(20(27)292)2224(17(15)19(23)26)129711(21)81012h3101517H12H3
methyl1(4chlorophenyl)5(2methoxyphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
methyl1(4chlorophenyl)5(2methoxyphenyl)46dioxo3a6adihydropyrrolo(34c)pyrazole3carboxylate
MFCD03670192
ZINC000004281918
ZINC000100564404
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