Vitas-M small molecule compound
methyl 5-(4-methylphenyl)-4,6-dioxo-1-(3-oxobutyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK552137
SMILES COC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccc(cc1)C)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 C18H19N3O5 MW 357.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O5/c1-10-4-6-12(7-5-10)21-16(23)13-14(18(25)26-3)19-20(9-8-11(2)22)15(13)17(21)24/h4-7,13,15H,8-9H2,1-3H3InChIKey
QJLIZBFWQTUGDK-UHFFFAOYSA-NSynonyms
1007931-48-71007931487
CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=C3C(=O)OC)CCC(=O)C
InChI=1SC18H19N3O5c1104612(7510)2116(23)1314(18(25)263)1920(9811(2)22)15(13)17(21)24h471315H89H213H3
methyl46dioxo1(3oxobutyl)5(ptolyl)13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
methyl5(4methylphenyl)46dioxo1(3oxobutyl)13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(4METHYLPHENYL)46DIOXO1(3OXOBUTYL)3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD03670531
ZINC000005022776
ZINC000100937446
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