Vitas-M small molecule compound
ethyl 1-acetyl-5-(4-chlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK081791
SMILES CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccc(cc1)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 C16H14ClN3O5 MW 363.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClN3O5/c1-3-25-16(24)12-11-13(20(18-12)8(2)21)15(23)19(14(11)22)10-6-4-9(17)5-7-10/h4-7,11,13H,3H2,1-2H3InChIKey
KCTUGKGYNYCRST-UHFFFAOYSA-NSynonyms
1147213-10-21147213102
CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccc(cc1)Cl)C(=O)C
CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC=C(C=C3)Cl)C(=O)C
ethyl1acetyl5(4chlorophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL1ACETYL5(4CHLOROPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC16H14ClN3O5c132516(24)121113(20(1812)8(2)21)15(23)19(14(11)22)10649(17)5710h471113H3H212H3
MFCD02197801
STK081791
ZINC000004104547
ZINC000100660864
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