Vitas-M small molecule compound

N-[1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-1-hydroxyisoquinoline-4-carboxamide

Catalog ID
STL408023
SMILES CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1cnc(c2c1cccc2)O

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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 C21H20N4O2S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S/c1-28-11-10-18(19-23-16-8-4-5-9-17(16)24-19)25-21(27)15-12-22-20(26)14-7-3-2-6-13(14)15/h2-9,12,18H,10-11H2,1H3,(H,22,26)(H,23,24)(H,25,27)
InChIKey
MPMHNTMBSCWBRR-UHFFFAOYSA-N
Synonyms

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CNC(=O)C4=CC=CC=C43
CSCCC(c1nc2c((nH)1)cccc2)NC(=O)c1cnc(c2c1cccc2)O
InChI=1SC21H20N4O2Sc128111018(192316845917(16)2419)2521(27)15122220(26)14732613(14)15h291218H1011H21H3(H2226)(H2324)(H2527)
MFCD30705013
N(1(1Hbenzimidazol2yl)3(methylsulfanyl)propyl)1hydroxyisoquinoline4carboxamide
N(1(1Hbenzimidazol2yl)3methylsulfanylpropyl)1oxo2Hisoquinoline4carboxamide
ZINC000096223493
ZINC000191331451

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Available files

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