Vitas-M small molecule compound
propan-2-yl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK073652
SMILES CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC(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 C28H31NO5 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5/c1-5-33-24-15-19(11-12-22(24)30)26-25(28(32)34-16(2)3)17(4)29-21-13-20(14-23(31)27(21)26)18-9-7-6-8-10-18/h6-12,15-16,20,26,29-30H,5,13-14H2,1-4H3InChIKey
MXFCIQHVFQSXQF-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OC(C)C)C)O
CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC(C)C
InChI=1SC28H31NO5c1533241519(111222(24)30)2625(28(32)3416(2)3)17(4)29211320(1423(31)27(21)26)1897681018h612151620262930H51314H214H3
MFCD02632924
propan2yl4(3ethoxy4hydroxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
propan2yl4(3ethoxy4hydroxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
STK073652
ZINC000009635736
ZINC000009635739
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