Vitas-M small molecule compound

(3S)-N-{(2S)-4-(methylsulfanyl)-1-oxo-1-[(1-phenylethyl)amino]butan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Catalog ID
STK578083
SMILES CSCC[C@@H](C(=O)NC(c1ccccc1)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/c1-16(17-8-4-3-5-9-17)25-22(27)20(12-13-29-2)26-23(28)21-14-18-10-6-7-11-19(18)15-24-21/h3-11,16,20-21,24H,12-15H2,1-2H3,(H,25,27)(H,26,28)/t16?,20-,21-/m0/s1
InChIKey
ZVQSHPSNZNAYDP-ZMAUEPLISA-N
Synonyms

(3S)N((2S)4(methylsulfanyl)1oxo1((1phenylethyl)amino)butan2yl)1234tetrahydroisoquinoline3carboxamide
(3S)N((2S)4(methylthio)1oxo1((1phenylethyl)amino)butan2yl)1234tetrahydroisoquinoline3carboxamidehydrochloride
(3S)N((2S)4methylsulfanyl1oxo1(1phenylethylamino)butan2yl)1234tetrahydroisoquinoline3carboxamide
CC(C1=CC=CC=C1)NC(=O)C(CCSC)NC(=O)C2CC3=CC=CC=C3CN2
CSCC(C@@H)(C(=O)NC(c1ccccc1)C)NC(=O)(C@H)1NCc2c(C1)cccc2
CSCC(C@@H)(C(=O)NC(c1ccccc1)C)NC(=O)(C@H)1NCc2c(C1)cccc2Cl
InChI=1SC23H29N3O2Sc116(178435917)2522(27)20(1213292)2623(28)21141810671119(18)152421h31116202124H1215H212H3(H2527)(H2628)t16?2021m0s1
MFCD06773307
ZINC000035349294
ZINC000035349295

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Available files

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