Vitas-M small molecule compound
2-phenylethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK375641
SMILES CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCCc1ccccc1
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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 C27H29NO5 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO5/c1-3-32-23-16-19(12-13-21(23)29)25-24(17(2)28-20-10-7-11-22(30)26(20)25)27(31)33-15-14-18-8-5-4-6-9-18/h4-6,8-9,12-13,16,25,28-29H,3,7,10-11,14-15H2,1-2H3InChIKey
VNLWFPRWPATSPO-UHFFFAOYSA-NSynonyms
2phenylethyl4(3ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(3ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCCC4=CC=CC=C4)C)O
InChI=1SC27H29NO5c1332231619(121321(23)29)2524(17(2)28201071122(30)26(20)25)27(31)331514188546918h4689121316252829H3710111415H212H3
MFCD01191822
ZINC000000844179
ZINC000000844180
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