Vitas-M small molecule compound
ethyl 5-(3-chlorophenyl)-1-(4-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK865575
SMILES CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1cccc(c1)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)14-9-7-12(2)8-10-14)20(27)24(19(16)26)15-6-4-5-13(22)11-15/h4-11,16,18H,3H2,1-2H3InChIKey
XEXSJZFJPPFKHL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C
ethyl5(3chlorophenyl)1(4methylphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL5(3CHLOROPHENYL)1(4METHYLPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
ethyl5(3chlorophenyl)46dioxo1(ptolyl)13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
InChI=1SC21H18ClN3O4c132921(28)171618(25(2317)149712(2)81014)20(27)24(19(16)26)1564513(22)1115h4111618H3H212H3
MFCD02238733
ZINC000004863219
ZINC000100563713
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