Vitas-M small molecule compound
ethyl 1-acetyl-5-(3-chloro-4-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK988329
SMILES CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)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 C17H16ClN3O5 MW 377.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClN3O5/c1-4-26-17(25)13-12-14(21(19-13)9(3)22)16(24)20(15(12)23)10-6-5-8(2)11(18)7-10/h5-7,12,14H,4H2,1-3H3InChIKey
LEMMFRKQQOPOCU-UHFFFAOYSA-NSynonyms
957503-45-6957503456
CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl)C(=O)C
ethyl1acetyl5(3chloro4methylphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL1ACETYL5(3CHLORO4METHYLPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
ETHYL3ACETYL5(3CHLORO4METHYLPHENYL)46DIOXO353A6ATETRAHYDRO235TRIAZAPENTALENECARBOXYLATE
InChI=1SC17H16ClN3O5c142617(25)131214(21(1913)9(3)22)16(24)20(15(12)23)10658(2)11(18)710h571214H4H213H3
MFCD04190789
ZINC000000811056
ZINC000100639110
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