Vitas-M small molecule compound

methyl 5-(4-chlorophenyl)-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
STK710958
SMILES COC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccc(cc1)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 C19H20ClN3O5 MW 405.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20ClN3O5/c1-10(24)9-19(2,3)23-15-13(14(21-23)18(27)28-4)16(25)22(17(15)26)12-7-5-11(20)6-8-12/h5-8,13,15H,9H2,1-4H3
InChIKey
WAQBFKWHYQISIX-UHFFFAOYSA-N
Synonyms

CC(=O)CC(C)(C)N1C2C(C(=N1)C(=O)OC)C(=O)N(C2=O)C3=CC=C(C=C3)Cl
InChI=1SC19H20ClN3O5c110(24)919(23)231513(14(2123)18(27)284)16(25)22(17(15)26)127511(20)6812h581315H9H214H3
methyl5(4chlorophenyl)1(2methyl4oxopentan2yl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(4CHLOROPHENYL)1(2METHYL4OXOPENTAN2YL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD02988891
ZINC000004855576
ZINC000227096984

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Available files

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