Vitas-M small molecule compound
methyl 5-(4-chlorophenyl)-4,6-dioxo-1-(3-oxobutyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STL336799
SMILES COC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccc(cc1)Cl)CCC(=O)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 C17H16ClN3O5 MW 377.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClN3O5/c1-9(22)7-8-20-14-12(13(19-20)17(25)26-2)15(23)21(16(14)24)11-5-3-10(18)4-6-11/h3-6,12,14H,7-8H2,1-2H3InChIKey
NHWVTBNIGQQOCR-UHFFFAOYSA-NSynonyms
1008274-69-81008274698
CC(=O)CCN1C2C(C(=N1)C(=O)OC)C(=O)N(C2=O)C3=CC=C(C=C3)Cl
InChI=1SC17H16ClN3O5c19(22)78201412(13(1920)17(25)262)15(23)21(16(14)24)115310(18)4611h361214H78H212H3
methyl5(4chlorophenyl)46dioxo1(3oxobutyl)13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(4CHLOROPHENYL)46DIOXO1(3OXOBUTYL)3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD03669033
ZINC000004995984
ZINC000226839011
Check stock
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Check stock on Vitas-MAvailable files
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