Vitas-M small molecule compound
2-phenylethyl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK057385
SMILES COc1cc(ccc1O)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 C32H31NO5 MW 509.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31NO5/c1-20-29(32(36)38-16-15-21-9-5-3-6-10-21)30(23-13-14-26(34)28(19-23)37-2)31-25(33-20)17-24(18-27(31)35)22-11-7-4-8-12-22/h3-14,19,24,30,33-34H,15-18H2,1-2H3InChIKey
VORFRMQJWVHXOW-UHFFFAOYSA-NSynonyms
2phenylethyl4(4hydroxy3methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2phenylethyl4(4hydroxy3methoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)O)OC)C(=O)OCCC5=CC=CC=C5
COc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCCc1ccccc1
InChI=1SC32H31NO5c12029(32(36)3816152195361021)30(23131426(34)28(1923)372)3125(3320)1724(1827(31)35)22117481222h3141924303334H1518H212H3
MFCD01445695
STK057385
ZINC000000666864
ZINC000002775406
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