Vitas-M small molecule compound
(3S)-N-[(2S)-1-[(3-methylphenyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Catalog ID
STK616512
SMILES CSCC[C@@H](C(=O)Nc1cccc(c1)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/c1-15-6-5-9-18(12-15)24-21(26)19(10-11-28-2)25-22(27)20-13-16-7-3-4-8-17(16)14-23-20/h3-9,12,19-20,23H,10-11,13-14H2,1-2H3,(H,24,26)(H,25,27)/t19-,20-/m0/s1InChIKey
ADULOBBAOOBCHI-PMACEKPBSA-NSynonyms
(3S)N((2S)1((3methylphenyl)amino)4(methylsulfanyl)1oxobutan2yl)1234tetrahydroisoquinoline3carboxamide
(3S)N((2S)1(3methylanilino)4methylsulfanyl1oxobutan2yl)1234tetrahydroisoquinoline3carboxamide
(S)N((S)4(methylthio)1oxo1(mtolylamino)butan2yl)1234tetrahydroisoquinoline3carboxamidehydrochloride
CC1=CC(=CC=C1)NC(=O)C(CCSC)NC(=O)C2CC3=CC=CC=C3CN2
CSCC(C@@H)(C(=O)Nc1cccc(c1)C)NC(=O)(C@H)1NCc2c(C1)cccc2
CSCC(C@@H)(C(=O)Nc1cccc(c1)C)NC(=O)(C@H)1NCc2c(C1)cccc2Cl
InChI=1SC22H27N3O2Sc11565918(1215)2421(26)19(1011282)2522(27)201316734817(16)142320h3912192023H10111314H212H3(H2426)(H2527)t1920m0s1
MFCD06779051
ZINC000035485503
ZINC35485503
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