Vitas-M small molecule compound
propan-2-yl 2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK371876
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CCC2)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 C20H22N2O5 MW 370.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O5/c1-11(2)27-20(24)17-12(3)21-15-5-4-6-16(23)19(15)18(17)13-7-9-14(10-8-13)22(25)26/h7-11,18,21H,4-6H2,1-3H3InChIKey
APURBVYJKSWMFZ-UHFFFAOYSA-NSynonyms
CC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CCC2)C
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)OC(C)C
InChI=1SC20H22N2O5c111(2)2720(24)1712(3)211554616(23)19(15)18(17)137914(10813)22(25)26h7111821H46H213H3
MFCD00619549
propan2yl2methyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
propan2yl2methyl4(4nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000019315179
ZINC000019315181
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