Vitas-M small molecule compound

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

Catalog ID
STL532434
SMILES CSCC[C@@H](C(=O)NCc1ccc(cc1)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 C23H29N3O3S MW 427.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O3S/c1-29-19-9-7-16(8-10-19)14-25-22(27)20(11-12-30-2)26-23(28)21-13-17-5-3-4-6-18(17)15-24-21/h3-10,20-21,24H,11-15H2,1-2H3,(H,25,27)(H,26,28)/t20-,21-/m0/s1
InChIKey
SVLBGGTVMQBQQR-SFTDATJTSA-N
Synonyms

(3~(S))~(N)((2~(S))1((4methoxyphenyl)methylamino)4methylsulfanyl1oxobutan2yl)1234tetrahydroisoquinoline3carboxamide
(3S)N((2S)1((4methoxybenzyl)amino)4(methylsulfanyl)1oxobutan2yl)1234tetrahydroisoquinoline3carboxamide
(S)N((S)1((4methoxybenzyl)amino)4(methylthio)1oxobutan2yl)1234tetrahydroisoquinoline3carboxamidehydrochloride
16404239
CSCC(C@@H)(C(=O)NCc1ccc(cc1)OC)NC(=O)(C@H)1NCc2c(C1)cccc2Cl
InChI=1SC23H29N3O3Sc129199716(81019)142522(27)20(1112302)2623(28)211317534618(17)152421h310202124H1115H212H3(H2527)(H2628)t2021m0s1
ZINC000035485160
ZINC35485160

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Available files

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