Vitas-M small molecule compound
N-[(2S)-1-hydroxy-4-(methylsulfanyl)butan-2-yl]-1-oxo-2-(pyridin-4-ylmethyl)-1,2-dihydroisoquinoline-4-carboxamide
Catalog ID
STL547726
SMILES CSCC[C@H](NC(=O)c1cn(Cc2ccncc2)c(=O)c2c1cccc2)CO
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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 C21H23N3O3S MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S/c1-28-11-8-16(14-25)23-20(26)19-13-24(12-15-6-9-22-10-7-15)21(27)18-5-3-2-4-17(18)19/h2-7,9-10,13,16,25H,8,11-12,14H2,1H3,(H,23,26)/t16-/m0/s1InChIKey
USLZPZVZJMQRQM-INIZCTEOSA-NSynonyms
(S)N(1HYDROXY4(METHYLTHIO)BUTAN2YL)1OXO2(PYRIDIN4YLMETHYL)12DIHYDROISOQUINOLINE4CARBOXAMIDE
~(N)((2~(S))1hydroxy4methylsulfanylbutan2yl)1oxo2(pyridin4ylmethyl)isoquinoline4carboxamide
110207756
CSCC(C@H)(NC(=O)c1cn(Cc2ccncc2)c(=O)c2c1cccc2)CO
InChI=1SC21H23N3O3Sc12811816(1425)2320(26)191324(1215692210715)21(27)18532417(18)19h27910131625H8111214H21H3(H2326)t16m0s1
N((2S)1hydroxy4(methylsulfanyl)butan2yl)1oxo2(pyridin4ylmethyl)12dihydroisoquinoline4carboxamide
ZINC000253413409
ZINC253413409
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