Vitas-M small molecule compound
6-methyl 3-propan-2-yl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404505
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1cc(OC)c(c(c1)[N+](=O)[O-])O)C(=C(N2)C)C(=O)OC(C)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 C24H28N2O9 MW 488.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O9/c1-10(2)35-24(30)18-12(4)25-14-7-11(3)17(23(29)34-6)22(28)20(14)19(18)13-8-15(26(31)32)21(27)16(9-13)33-5/h8-11,17,19,25,27H,7H2,1-6H3InChIKey
XZSIBNOTUHHFOF-UHFFFAOYSA-NSynonyms
6methyl3propan2yl4(4hydroxy3methoxy5nitrophenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
6Omethyl3Opropan2yl4(4hydroxy3methoxy5nitrophenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC(C)C)C3=CC(=C(C(=C3)OC)O)(N+)(=O)(O))C(=O)C1C(=O)OC
COC(=O)C1C(C)CC2=C(C1=O)C(c1cc(OC)c(c(c1)(N+)(=O)(O))O)C(=C(N2)C)C(=O)OC(C)C
InChI=1SC24H28N2O9c110(2)3524(30)1812(4)2514711(3)17(23(29)346)22(28)20(14)19(18)13815(26(31)32)21(27)16(913)335h81117192527H7H216H3
MFCD04220440
ZINC000016346870
ZINC000239248078
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