Vitas-M small molecule compound
2-phenylethyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK025834
SMILES CC(=O)Oc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)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 C33H31NO5 MW 521.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31NO5/c1-21-30(33(37)38-18-17-23-9-5-3-6-10-23)31(25-13-15-27(16-14-25)39-22(2)35)32-28(34-21)19-26(20-29(32)36)24-11-7-4-8-12-24/h3-16,26,31,34H,17-20H2,1-2H3InChIKey
ZJBFZCYYKORPJB-UHFFFAOYSA-NSynonyms
5707-54-02phenylethyl4(4(acetyloxy)phenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2phenylethyl4(4acetyloxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
5707540
CC(=O)Oc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCCc1ccccc1
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC(=O)C)C(=O)OCCC5=CC=CC=C5
InChI=1SC33H31NO5c12130(33(37)3818172395361023)31(25131527(161425)3922(2)35)3228(3421)1926(2029(32)36)24117481224h316263134H1720H212H3
MFCD02375959
STK025834
ZINC000001201519
ZINC000001201536
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