Vitas-M small molecule compound
prop-2-en-1-yl 4-(4,5-dimethoxy-2-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK373551
SMILES C=CCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1[N+](=O)[O-])OC)C(=O)CCC2
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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 C22H24N2O7 MW 428.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O7/c1-5-9-31-22(26)19-12(2)23-14-7-6-8-16(25)21(14)20(19)13-10-17(29-3)18(30-4)11-15(13)24(27)28/h5,10-11,20,23H,1,6-9H2,2-4H3InChIKey
SSTKNDXRYKEYRM-UHFFFAOYSA-NSynonyms
C=CCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1(N+)(=O)(O))OC)C(=O)CCC2
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3(N+)(=O)(O))OC)OC)C(=O)OCC=C
InChI=1SC22H24N2O7c1593122(26)1912(2)231476816(25)21(14)20(19)131017(293)18(304)1115(13)24(27)28h510112023H169H224H3
MFCD00785392
prop2en1yl4(45dimethoxy2nitrophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
prop2enyl4(45dimethoxy2nitrophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000003100691
ZINC000003100692
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