Vitas-M small molecule compound
(3S)-N-[(2S)-1-[(2,4-dimethylphenyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Catalog ID
STK617038
SMILES CSCC[C@@H](C(=O)Nc1ccc(cc1C)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 C23H29N3O2S MW 411.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O2S/c1-15-8-9-19(16(2)12-15)25-22(27)20(10-11-29-3)26-23(28)21-13-17-6-4-5-7-18(17)14-24-21/h4-9,12,20-21,24H,10-11,13-14H2,1-3H3,(H,25,27)(H,26,28)/t20-,21-/m0/s1InChIKey
XABBWJGMPVILRA-SFTDATJTSA-NSynonyms
(3S)N((2S)1((24dimethylphenyl)amino)4(methylsulfanyl)1oxobutan2yl)1234tetrahydroisoquinoline3carboxamide
(3S)N((2S)1(24dimethylanilino)4methylsulfanyl1oxobutan2yl)1234tetrahydroisoquinoline3carboxamide
(S)N((S)1((24dimethylphenyl)amino)4(methylthio)1oxobutan2yl)1234tetrahydroisoquinoline3carboxamidehydrochloride
CC1=CC(=C(C=C1)NC(=O)C(CCSC)NC(=O)C2CC3=CC=CC=C3CN2)C
CSCC(C@@H)(C(=O)Nc1ccc(cc1C)C)NC(=O)(C@H)1NCc2c(C1)cccc2
CSCC(C@@H)(C(=O)Nc1ccc(cc1C)C)NC(=O)(C@H)1NCc2c(C1)cccc2Cl
InChI=1SC23H29N3O2Sc1158919(16(2)1215)2522(27)20(1011293)2623(28)211317645718(17)142421h4912202124H10111314H213H3(H2527)(H2628)t2021m0s1
MFCD06774598
ZINC000035485538
ZINC35485538
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