Vitas-M small molecule compound
methyl 1-acetyl-5-(4-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STL236541
SMILES COC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccc(cc1)C)C(=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 C16H15N3O5 MW 329.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O5/c1-8-4-6-10(7-5-8)18-14(21)11-12(16(23)24-3)17-19(9(2)20)13(11)15(18)22/h4-7,11,13H,1-3H3InChIKey
YKKGCUFNAQHCRP-UHFFFAOYSA-NSynonyms
1008389-53-41008389534
CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=C3C(=O)OC)C(=O)C
InChI=1SC16H15N3O5c184610(758)1814(21)1112(16(23)243)1719(9(2)20)13(11)15(18)22h471113H13H3
methyl1acetyl46dioxo5(ptolyl)13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
methyl1acetyl5(4methylphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL1ACETYL5(4METHYLPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD04187605
ZINC000005217420
ZINC000101155194
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