Vitas-M small molecule compound
2-methoxyethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK066458
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1ccc(c(c1)OC)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 C28H30N2O8 MW 522.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O8/c1-16-25(28(32)38-11-10-35-2)26(18-6-5-7-20(12-18)30(33)34)27-21(29-16)13-19(14-22(27)31)17-8-9-23(36-3)24(15-17)37-4/h5-9,12,15,19,26,29H,10-11,13-14H2,1-4H3InChIKey
WHEWDLNEIVFMHR-UHFFFAOYSA-NSynonyms
2methoxyethyl7(34dimethoxyphenyl)2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl7(34dimethoxyphenyl)2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1ccc(c(c1)OC)OC
InChI=1SC28H30N2O8c11625(28(32)381110352)26(1865720(1218)30(33)34)2721(2916)1319(1422(27)31)178923(363)24(1517)374h591215192629H10111314H214H3
MFCD02224186
STK066458
ZINC000002792819
ZINC000002792822
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