Vitas-M small molecule compound
2-methoxy-5-{2-methyl-3-[(3-methylpyridin-2-yl)carbamoyl]-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinolin-4-yl}benzyl acetate
Catalog ID
STL174261
SMILES COc1ccc(cc1COC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)Nc1ncccc1C
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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 C33H33N3O5 MW 551.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N3O5/c1-19-9-8-14-34-32(19)36-33(39)29-20(2)35-26-16-24(22-10-6-5-7-11-22)17-27(38)31(26)30(29)23-12-13-28(40-4)25(15-23)18-41-21(3)37/h5-15,24,30,35H,16-18H2,1-4H3,(H,34,36,39)InChIKey
CBNFECAHLZFWQD-UHFFFAOYSA-NSynonyms
444924-90-7(2methoxy5(2methyl3((3methylpyridin2yl)carbamoyl)5oxo7phenyl4678tetrahydro1Hquinolin4yl)phenyl)methylacetate
2methoxy5(2methyl3((3methylpyridin2yl)carbamoyl)5oxo7phenyl145678hexahydroquinolin4yl)benzylacetate
444924907
CC1=C(N=CC=C1)NC(=O)C2=C(NC3=C(C2C4=CC(=C(C=C4)OC)COC(=O)C)C(=O)CC(C3)C5=CC=CC=C5)C
InChI=1SC33H33N3O5c11998143432(19)3633(39)2920(2)35261624(22106571122)1727(38)31(26)30(29)23121328(404)25(1523)184121(3)37h515243035H1618H214H3(H343639)
MFCD02606177
ZINC000000659897
ZINC000008450293
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