Vitas-M small molecule compound

N-[(2S)-1-[(3-chloro-4-fluorophenyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxamide

Catalog ID
STL011175
SMILES CSCC[C@@H](C(=O)Nc1ccc(c(c1)Cl)F)NC(=O)N1CCc2c(C1)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 C23H27ClFN3O4S MW 496.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27ClFN3O4S/c1-31-20-10-14-6-8-28(13-15(14)11-21(20)32-2)23(30)27-19(7-9-33-3)22(29)26-16-4-5-18(25)17(24)12-16/h4-5,10-12,19H,6-9,13H2,1-3H3,(H,26,29)(H,27,30)/t19-/m0/s1
InChIKey
DMMRJXZMYJBTLJ-IBGZPJMESA-N
Synonyms
1014064-58-4
(S)N(1((3chloro4fluorophenyl)amino)4(methylthio)1oxobutan2yl)67dimethoxy34dihydroisoquinoline2(1H)carboxamide
1014064584
COC1=C(C=C2CN(CCC2=C1)C(=O)NC(CCSC)C(=O)NC3=CC(=C(C=C3)F)Cl)OC
CSCC(C@@H)(C(=O)Nc1ccc(c(c1)Cl)F)NC(=O)N1CCc2c(C1)cc(c(c2)OC)OC
InChI=1SC23H27ClFN3O4Sc1312010146828(1315(14)1121(20)322)23(30)2719(79333)22(29)26164518(25)17(24)1216h45101219H6913H213H3(H2629)(H2730)t19m0s1
MFCD08743726
N((2S)1((3chloro4fluorophenyl)amino)4(methylsulfanyl)1oxobutan2yl)67dimethoxy34dihydroisoquinoline2(1H)carboxamide
N((2S)1(3chloro4fluoroanilino)4methylsulfanyl1oxobutan2yl)67dimethoxy34dihydro1Hisoquinoline2carboxamide
ZINC000009134674
ZINC09134674
ZINC9134674

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Available files

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