Vitas-M small molecule compound
ethyl 2-ethyl-7,7-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK366863
SMILES CCOC(=O)C1=C(CC)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CC(C2)(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 C23H26N2O7 MW 442.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O7/c1-5-13-21(22(27)30-6-2)19(20-14(24-13)9-23(3,4)10-16(20)26)12-7-17-18(32-11-31-17)8-15(12)25(28)29/h7-8,19,24H,5-6,9-11H2,1-4H3InChIKey
FQRDFRZLZYDRCG-UHFFFAOYSA-NSynonyms
292855-62-0292855620
CCC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C(=O)OCC
CCOC(=O)C1=C(CC)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CC(C2)(C)C
ethyl2ethyl77dimethyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carboxylate
ethyl2ethyl77dimethyl4(6nitro13benzodioxol5yl)5oxo1468tetrahydroquinoline3carboxylate
ethyl2ethyl77dimethyl4(6nitrobenzo(d)(13)dioxol5yl)5oxo145678hexahydroquinoline3carboxylate
InChI=1SC23H26N2O7c151321(22(27)3062)19(2014(2413)923(34)1016(20)26)1271718(32113117)815(12)25(28)29h781924H56911H214H3
MFCD00337738
ZINC000019314540
ZINC000019314543
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