Vitas-M small molecule compound
3-ethyl 6-methyl 2,7-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407398
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)C(C(C2)C)C(=O)OC
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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 C23H24N2O9 MW 472.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N2O9/c1-5-32-23(28)18-11(3)24-13-6-10(2)17(22(27)31-4)21(26)20(13)19(18)12-7-15-16(34-9-33-15)8-14(12)25(29)30/h7-8,10,17,19,24H,5-6,9H2,1-4H3InChIKey
KFSJSXGNFDTNGM-UHFFFAOYSA-NSynonyms
3ethyl6methyl27dimethyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline36dicarboxylate
3Oethyl6Omethyl27dimethyl4(6nitro13benzodioxol5yl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)C(C(C2)C)C(=O)OC
CCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC23H24N2O9c153223(28)1811(3)2413610(2)17(22(27)314)21(26)20(13)19(18)1271516(3493315)814(12)25(29)30h7810171924H569H214H3
MFCD04057047
ZINC000003630975
ZINC000035877221
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