Vitas-M small molecule compound
(3S)-N-[(2S)-1-(cyclohexylamino)-4-(methylsulfanyl)-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Catalog ID
STK576404
SMILES CSCC[C@@H](C(=O)NC1CCCCC1)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 C21H31N3O2S MW 389.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N3O2S/c1-27-12-11-18(20(25)23-17-9-3-2-4-10-17)24-21(26)19-13-15-7-5-6-8-16(15)14-22-19/h5-8,17-19,22H,2-4,9-14H2,1H3,(H,23,25)(H,24,26)/t18-,19-/m0/s1InChIKey
OYIKPUCXVYXDHK-OALUTQOASA-NSynonyms
(3S)N((2S)1(cyclohexylamino)4(methylsulfanyl)1oxobutan2yl)1234tetrahydroisoquinoline3carboxamide
(3S)N((2S)1(cyclohexylamino)4methylsulfanyl1oxobutan2yl)1234tetrahydroisoquinoline3carboxamide
(S)N((S)1(cyclohexylamino)4(methylthio)1oxobutan2yl)1234tetrahydroisoquinoline3carboxamidehydrochloride
CSCC(C@@H)(C(=O)NC1CCCCC1)NC(=O)(C@H)1NCc2c(C1)cccc2
CSCC(C@@H)(C(=O)NC1CCCCC1)NC(=O)(C@H)1NCc2c(C1)cccc2Cl
CSCCC(C(=O)NC1CCCCC1)NC(=O)C2CC3=CC=CC=C3CN2
InChI=1SC21H31N3O2Sc127121118(20(25)231793241017)2421(26)191315756816(15)142219h58171922H24914H21H3(H2325)(H2426)t1819m0s1
MFCD06783340
ZINC000035380475
ZINC35380475
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