Vitas-M small molecule compound
ethyl 1-acetyl-5-(3,4-dichlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK710083
SMILES CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)Cl)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 C16H13Cl2N3O5 MW 398.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13Cl2N3O5/c1-3-26-16(25)12-11-13(21(19-12)7(2)22)15(24)20(14(11)23)8-4-5-9(17)10(18)6-8/h4-6,11,13H,3H2,1-2H3InChIKey
OSFXDEQREWERSV-UHFFFAOYSA-NSynonyms
957046-88-7957046887
CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C
ethyl1acetyl5(34dichlorophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL1ACETYL5(34DICHLOROPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC16H13Cl2N3O5c132616(25)121113(21(1912)7(2)22)15(24)20(14(11)23)8459(17)10(18)68h461113H3H212H3
MFCD02197800
ZINC000004693768
ZINC000100165838
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