Vitas-M small molecule compound
ethyl 5-fluoro-3-({[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]acetyl}amino)-1H-indole-2-carboxylate
Catalog ID
STL526636
SMILES CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCc3c([C@@H]1C)cc(c(c3)O)OC)cc(cc2)F
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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 C24H26FN3O5 MW 455.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26FN3O5/c1-4-33-24(31)23-22(17-10-15(25)5-6-18(17)26-23)27-21(30)12-28-8-7-14-9-19(29)20(32-3)11-16(14)13(28)2/h5-6,9-11,13,26,29H,4,7-8,12H2,1-3H3,(H,27,30)/t13-/m0/s1InChIKey
FDIBRKPSTFBOJU-ZDUSSCGKSA-NSynonyms
(R)ethyl5fluoro3(2(6hydroxy7methoxy1methyl34dihydroisoquinolin2(1H)yl)acetamido)1Hindole2carboxylate
86809380
CCOC(=O)c1(nH)c2c(c1NC(=O)CN1CCc3c((C@H)1C)cc(c(c3)O)OC)cc(cc2)F
ethyl5fluoro3((((1S)6hydroxy7methoxy1methyl34dihydroisoquinolin2(1H)yl)acetyl)amino)1Hindole2carboxylate
ethyl5fluoro3((2((1~(S))6hydroxy7methoxy1methyl34dihydro1~(H)isoquinolin2yl)acetyl)amino)1~(H)indole2carboxylate
ETHYL5FLUORO3((2((1S)6HYDROXY7METHOXY1METHYL34DIHYDRO2(1H)ISOQUINOLINYL)ACETYL)AMINO)1HINDOLE2CARBOXYLATE
InChI=1SC24H26FN3O5c143324(31)2322(171015(25)5618(17)2623)2721(30)12288714919(29)20(323)1116(14)13(28)2h56911132629H47812H213H3(H2730)t13m0s1
MFCD03006092
ZINC000016040453
ZINC16040453
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