Vitas-M small molecule compound
methyl 5-(3,5-dichlorophenyl)-4,6-dioxo-1-(3-oxobutyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK998119
SMILES COC(=O)C1=NN(C2C1C(=O)N(C2=O)c1cc(Cl)cc(c1)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 C17H15Cl2N3O5 MW 412.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15Cl2N3O5/c1-8(23)3-4-21-14-12(13(20-21)17(26)27-2)15(24)22(16(14)25)11-6-9(18)5-10(19)7-11/h5-7,12,14H,3-4H2,1-2H3InChIKey
MXRDKEWHRRJPBO-UHFFFAOYSA-NSynonyms
1009528-77-11009528771
CC(=O)CCN1C2C(C(=N1)C(=O)OC)C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl
InChI=1SC17H15Cl2N3O5c18(23)34211412(13(2021)17(26)272)15(24)22(16(14)25)1169(18)510(19)711h571214H34H212H3
methyl5(35dichlorophenyl)46dioxo1(3oxobutyl)13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(35DICHLOROPHENYL)46DIOXO1(3OXOBUTYL)3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD03669755
ZINC000005022127
ZINC000226807094
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