Vitas-M small molecule compound

ethyl 6a-(4-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate

Catalog ID
STK536236
SMILES CCOC(=O)C1=NNC2(C1C(=O)N(C2=O)c1ccc(cc1)C)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 C21H18ClN3O4 MW 411.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O4/c1-3-29-19(27)17-16-18(26)25(15-10-4-12(2)5-11-15)20(28)21(16,24-23-17)13-6-8-14(22)9-7-13/h4-11,16,24H,3H2,1-2H3
InChIKey
PSYCQIDTDKDZNP-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=NNC2(C1C(=O)N(C2=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)Cl
ethyl6a(4chlorophenyl)46dioxo5(ptolyl)13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ethyl6a(4chlorophenyl)5(4methylphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL6A(4CHLOROPHENYL)5(4METHYLPHENYL)46DIOXO13ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC21H18ClN3O4c132919(27)171618(26)25(1510412(2)51115)20(28)21(16242317)136814(22)9713h4111624H3H212H3
MFCD02997592
ZINC000004859802
ZINC000004859805

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Available files

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