Vitas-M small molecule compound
2-methoxyethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK017270
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[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)38-12-11-35-2)26(17-5-8-20(9-6-17)30(33)34)27-21(29-16)13-19(14-22(27)31)18-7-10-23(36-3)24(15-18)37-4/h5-10,15,19,26,29H,11-14H2,1-4H3InChIKey
CCCZMLVFKGSADP-UHFFFAOYSA-NSynonyms
2methoxyethyl7(34dimethoxyphenyl)2methyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl7(34dimethoxyphenyl)2methyl4(4nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)c1ccc(c(c1)OC)OC
InChI=1SC28H30N2O8c11625(28(32)381211352)26(175820(9617)30(33)34)2721(2916)1319(1422(27)31)1871023(363)24(1518)374h51015192629H1114H214H3
MFCD02224213
STK017270
ZINC000002735267
ZINC000002735270
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