Vitas-M small molecule compound
methyl 5-(3,5-dichlorophenyl)-1-(2-methyl-4-oxopentan-2-yl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK710959
SMILES COC(=O)C1=NN(C2C1C(=O)N(C2=O)c1cc(Cl)cc(c1)Cl)C(CC(=O)C)(C)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 C19H19Cl2N3O5 MW 440.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19Cl2N3O5/c1-9(25)8-19(2,3)24-15-13(14(22-24)18(28)29-4)16(26)23(17(15)27)12-6-10(20)5-11(21)7-12/h5-7,13,15H,8H2,1-4H3InChIKey
CEAKHTKIMZBGSD-UHFFFAOYSA-NSynonyms
CC(=O)CC(C)(C)N1C2C(C(=N1)C(=O)OC)C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl
InChI=1SC19H19Cl2N3O5c19(25)819(23)241513(14(2224)18(28)294)16(26)23(17(15)27)12610(20)511(21)712h571315H8H214H3
methyl5(35dichlorophenyl)1(2methyl4oxopentan2yl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(35DICHLOROPHENYL)1(2METHYL4OXOPENTAN2YL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD02985809
ZINC000013785773
ZINC000227097002
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