Vitas-M small molecule compound
ethyl 1-(4-chlorophenyl)-5-(2-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK760155
SMILES CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccccc1[N+](=O)[O-])c1ccc(cc1)Cl
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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 C20H15ClN4O6 MW 442.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN4O6/c1-2-31-20(28)16-15-17(24(22-16)12-9-7-11(21)8-10-12)19(27)23(18(15)26)13-5-3-4-6-14(13)25(29)30/h3-10,15,17H,2H2,1H3InChIKey
CJFCGLDRIYXXAK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccccc1(N+)(=O)(O))c1ccc(cc1)Cl
CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC=CC=C3(N+)(=O)(O))C4=CC=C(C=C4)Cl
ethyl1(4chlorophenyl)5(2nitrophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL1(4CHLOROPHENYL)5(2NITROPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC20H15ClN4O6c123120(28)161517(24(2216)129711(21)81012)19(27)23(18(15)26)13534614(13)25(29)30h3101517H2H21H3
MFCD01572028
ZINC000004143553
ZINC000100077697
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