Vitas-M small molecule compound
(3S)-N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-4-(methylsulfanyl)-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Catalog ID
STK573957
SMILES CSCC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)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 C22H25N3O4S MW 427.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O4S/c1-30-9-8-17(21(26)24-16-6-7-19-20(11-16)29-13-28-19)25-22(27)18-10-14-4-2-3-5-15(14)12-23-18/h2-7,11,17-18,23H,8-10,12-13H2,1H3,(H,24,26)(H,25,27)/t17-,18-/m0/s1InChIKey
OZNUFZVLFRCDSS-ROUUACIJSA-NSynonyms
(3S)N((2S)1(13benzodioxol5ylamino)4(methylsulfanyl)1oxobutan2yl)1234tetrahydroisoquinoline3carboxamide
(3S)N((2S)1(13benzodioxol5ylamino)4methylsulfanyl1oxobutan2yl)1234tetrahydroisoquinoline3carboxamide
(S)N((S)1(benzo(d)(13)dioxol5ylamino)4(methylthio)1oxobutan2yl)1234tetrahydroisoquinoline3carboxamidehydrochloride
CSCC(C@@H)(C(=O)Nc1ccc2c(c1)OCO2)NC(=O)(C@H)1NCc2c(C1)cccc2
CSCC(C@@H)(C(=O)Nc1ccc2c(c1)OCO2)NC(=O)(C@H)1NCc2c(C1)cccc2Cl
CSCCC(C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3CC4=CC=CC=C4CN3
InChI=1SC22H25N3O4Sc1309817(21(26)2416671920(1116)29132819)2522(27)181014423515(14)122318h2711171823H8101213H21H3(H2426)(H2527)t1718m0s1
MFCD06776037
ZINC000013555749
ZINC13555749
Check stock
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Check stock on Vitas-MAvailable files
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