Vitas-M small molecule compound
ethyl 4-(4,5-dimethoxy-2-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK373571
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1[N+](=O)[O-])OC)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 C23H28N2O7 MW 444.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O7/c1-7-32-22(27)19-12(2)24-14-10-23(3,4)11-16(26)21(14)20(19)13-8-17(30-5)18(31-6)9-15(13)25(28)29/h8-9,20,24H,7,10-11H2,1-6H3InChIKey
VXMVFCSTOHVOMA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1(N+)(=O)(O))OC)C(=O)CC(C2)(C)C
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3(N+)(=O)(O))OC)OC)C(=O)CC(C2)(C)C)C
ethyl4(45dimethoxy2nitrophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(45dimethoxy2nitrophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC23H28N2O7c173222(27)1912(2)24141023(34)1116(26)21(14)20(19)13817(305)18(316)915(13)25(28)29h892024H71011H216H3
MFCD00785432
ZINC000019805273
ZINC000019805276
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