Vitas-M small molecule compound
methyl 2,7,7-trimethyl-4-{4-[(4-methylbenzyl)oxy]-3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL173090
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])OCc1ccc(cc1)C)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 C28H30N2O6 MW 490.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O6/c1-16-6-8-18(9-7-16)15-36-23-11-10-19(12-21(23)30(33)34)25-24(27(32)35-5)17(2)29-20-13-28(3,4)14-22(31)26(20)25/h6-12,25,29H,13-15H2,1-5H3InChIKey
XFOLZUDWTFIFFS-UHFFFAOYSA-NSynonyms
397875-21-7397875217
CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C3C4=C(CC(CC4=O)(C)C)NC(=C3C(=O)OC)C)(N+)(=O)(O)
COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))OCc1ccc(cc1)C)C(=O)CC(C2)(C)C
InChI=1SC28H30N2O6c1166818(9716)153623111019(1221(23)30(33)34)2524(27(32)355)17(2)29201328(34)1422(31)26(20)25h6122529H1315H215H3
methyl277trimethyl4(4((4methylbenzyl)oxy)3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
methyl277trimethyl4(4((4methylphenyl)methoxy)3nitrophenyl)5oxo1468tetrahydroquinoline3carboxylate
MFCD02175230
ZINC000013882159
ZINC000013882160
Check stock
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