Vitas-M small molecule compound

ethyl 3-{[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoyl]amino}-5-fluoro-1H-indole-2-carboxylate

Catalog ID
STL338728
SMILES CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1CCc3c(C1)cc(c(c3)OC)OC)C)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 C25H28FN3O5 MW 469.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28FN3O5/c1-5-34-25(31)23-22(18-12-17(26)6-7-19(18)27-23)28-24(30)14(2)29-9-8-15-10-20(32-3)21(33-4)11-16(15)13-29/h6-7,10-12,14,27H,5,8-9,13H2,1-4H3,(H,28,30)
InChIKey
NFVPGJVINOYYRR-UHFFFAOYSA-N
Synonyms
840473-21-4
840473214
CCOC(=O)c1(nH)c2c(c1NC(=O)C(N1CCc3c(C1)cc(c(c3)OC)OC)C)cc(cc2)F
CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C(C)N3CCC4=CC(=C(C=C4C3)OC)OC
ethyl3((2(67dimethoxy34dihydroisoquinolin2(1H)yl)propanoyl)amino)5fluoro1Hindole2carboxylate
ETHYL3(2(67DIMETHOXY34DIHYDRO1HISOQUINOLIN2YL)PROPANOYLAMINO)5FLUORO1HINDOLE2CARBOXYLATE
ethyl3(2(67dimethoxy34dihydroisoquinolin2(1H)yl)propanamido)5fluoro1Hindole2carboxylate
InChI=1SC25H28FN3O5c153425(31)2322(181217(26)6719(18)2723)2824(30)14(2)2998151020(323)21(334)1116(15)1329h6710121427H58913H214H3(H2830)
MFCD02999443
ZINC000002261640
ZINC000002261641

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Available files

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