Vitas-M small molecule compound

propan-2-yl 4-(4-hydroxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK403106
SMILES COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)O)C(=O)OC(C)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 C27H29NO5 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO5/c1-15(2)33-27(31)24-16(3)28-21-13-18(20-7-5-6-8-23(20)32-4)14-22(30)26(21)25(24)17-9-11-19(29)12-10-17/h5-12,15,18,25,28-29H,13-14H2,1-4H3
InChIKey
UQNNQKRYIWEKHN-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC=C(C=C4)O)C(=O)OC(C)C
InChI=1SC27H29NO5c115(2)3327(31)2416(3)28211318(20756823(20)324)1422(30)26(21)25(24)1791119(29)121017h5121518252829H1314H214H3
MFCD03371087
propan2yl4(4hydroxyphenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(4hydroxyphenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000001456944
ZINC000001456947

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Available files

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