Vitas-M small molecule compound
(3S)-N-[(2S)-1-[(4-methylphenyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Catalog ID
STK616596
SMILES CSCC[C@@H](C(=O)Nc1ccc(cc1)C)NC(=O)[C@H]1NCc2c(C1)cccc2
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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 C22H27N3O2S MW 397.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O2S/c1-15-7-9-18(10-8-15)24-21(26)19(11-12-28-2)25-22(27)20-13-16-5-3-4-6-17(16)14-23-20/h3-10,19-20,23H,11-14H2,1-2H3,(H,24,26)(H,25,27)/t19-,20-/m0/s1InChIKey
FODRVPVKISINIZ-PMACEKPBSA-NSynonyms
(3S)N((2S)1((4methylphenyl)amino)4(methylsulfanyl)1oxobutan2yl)1234tetrahydroisoquinoline3carboxamide
(3S)N((2S)1(4methylanilino)4methylsulfanyl1oxobutan2yl)1234tetrahydroisoquinoline3carboxamide
(S)N((S)4(methylthio)1oxo1(ptolylamino)butan2yl)1234tetrahydroisoquinoline3carboxamidehydrochloride
CC1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2CC3=CC=CC=C3CN2
CSCC(C@@H)(C(=O)Nc1ccc(cc1)C)NC(=O)(C@H)1NCc2c(C1)cccc2
CSCC(C@@H)(C(=O)Nc1ccc(cc1)C)NC(=O)(C@H)1NCc2c(C1)cccc2Cl
InChI=1SC22H27N3O2Sc1157918(10815)2421(26)19(1112282)2522(27)201316534617(16)142320h310192023H1114H212H3(H2426)(H2527)t1920m0s1
MFCD06771563
ZINC000035485494
ZINC35485494
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