Vitas-M small molecule compound

methyl N-{[1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}-L-methioninate

Catalog ID
STK608549
SMILES CSCC[C@@H](C(=O)OC)NC(=O)N1CCc2c(C1c1ccc(cc1)F)cc(c(c2)OC)OC

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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 C24H29FN2O5S MW 476.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29FN2O5S/c1-30-20-13-16-9-11-27(24(29)26-19(10-12-33-4)23(28)32-3)22(18(16)14-21(20)31-2)15-5-7-17(25)8-6-15/h5-8,13-14,19,22H,9-12H2,1-4H3,(H,26,29)/t19-,22?/m0/s1
InChIKey
PGHPBMJJZQYFOA-YDNXMHBPSA-N
Synonyms
956969-28-1
(2S)methyl2(1(4fluorophenyl)67dimethoxy1234tetrahydroisoquinoline2carboxamido)4(methylthio)butanoate
956969281
COC1=C(C=C2C(N(CCC2=C1)C(=O)NC(CCSC)C(=O)OC)C3=CC=C(C=C3)F)OC
CSCC(C@@H)(C(=O)OC)NC(=O)N1CCc2c(C1c1ccc(cc1)F)cc(c(c2)OC)OC
InChI=1SC24H29FN2O5Sc13020131691127(24(29)2619(1012334)23(28)323)22(18(16)1421(20)312)155717(25)8615h5813141922H912H214H3(H2629)t1922?m0s1
methyl(2S)2((1(4fluorophenyl)67dimethoxy34dihydro1Hisoquinoline2carbonyl)amino)4methylsulfanylbutanoate
methylN((1(4fluorophenyl)67dimethoxy34dihydroisoquinolin2(1H)yl)carbonyl)Lmethioninate
MFCD10488543
ZINC000009133902
ZINC000009133903

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.