Vitas-M small molecule compound

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

Catalog ID
STK865579
SMILES CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccc(cc1)Cl)c1ccc(cc1)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 C21H18ClN3O4 MW 411.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O4/c1-3-29-21(28)17-16-18(25(23-17)15-8-4-12(2)5-9-15)20(27)24(19(16)26)14-10-6-13(22)7-11-14/h4-11,16,18H,3H2,1-2H3
InChIKey
BWWDQXKBIQOUHK-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C
ethyl5(4chlorophenyl)1(4methylphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL5(4CHLOROPHENYL)1(4METHYLPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
ETHYL5(4CHLOROPHENYL)3(4METHYLPHENYL)46DIOXO353A6ATETRAHYDRO235TRIAZAPENTALENECARBOXYLATE
ethyl5(4chlorophenyl)46dioxo1(ptolyl)13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
InChI=1SC21H18ClN3O4c132921(28)171618(25(2317)158412(2)5915)20(27)24(19(16)26)1410613(22)71114h4111618H3H212H3
MFCD02238923
ZINC000004334978
ZINC000100224946

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Available files

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