Vitas-M small molecule compound

(3S)-N-[(2S)-1-[(3-methoxyphenyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Catalog ID
STK607776
SMILES CSCC[C@@H](C(=O)Nc1cccc(c1)OC)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 C22H27N3O3S MW 413.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O3S/c1-28-18-9-5-8-17(13-18)24-21(26)19(10-11-29-2)25-22(27)20-12-15-6-3-4-7-16(15)14-23-20/h3-9,13,19-20,23H,10-12,14H2,1-2H3,(H,24,26)(H,25,27)/t19-,20-/m0/s1
InChIKey
SQSCDEMAIIGXBY-PMACEKPBSA-N
Synonyms

(3S)N((2S)1((3methoxyphenyl)amino)4(methylsulfanyl)1oxobutan2yl)1234tetrahydroisoquinoline3carboxamide
(3S)N((2S)1(3methoxyanilino)4methylsulfanyl1oxobutan2yl)1234tetrahydroisoquinoline3carboxamide
(S)N((S)1((3methoxyphenyl)amino)4(methylthio)1oxobutan2yl)1234tetrahydroisoquinoline3carboxamidehydrochloride
COC1=CC=CC(=C1)NC(=O)C(CCSC)NC(=O)C2CC3=CC=CC=C3CN2
CSCC(C@@H)(C(=O)Nc1cccc(c1)OC)NC(=O)(C@H)1NCc2c(C1)cccc2
CSCC(C@@H)(C(=O)Nc1cccc(c1)OC)NC(=O)(C@H)1NCc2c(C1)cccc2Cl
InChI=1SC22H27N3O3Sc1281895817(1318)2421(26)19(1011292)2522(27)201215634716(15)142320h3913192023H101214H212H3(H2426)(H2527)t1920m0s1
MFCD06782485
ZINC000035485542
ZINC35485542

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Available files

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