Vitas-M small molecule compound
1-hydroxy-N-[1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]isoquinoline-4-carboxamide
Catalog ID
STL425993
SMILES CSCCC(c1nc2c(n1C)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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-26-19-10-6-5-9-17(19)24-20(26)18(11-12-29-2)25-22(28)16-13-23-21(27)15-8-4-3-7-14(15)16/h3-10,13,18H,11-12H2,1-2H3,(H,23,27)(H,25,28)InChIKey
CRXWKVDZFFDSTG-UHFFFAOYSA-NSynonyms
1hydroxyN(1(1methyl1Hbenzimidazol2yl)3(methylsulfanyl)propyl)isoquinoline4carboxamide
CN1C2=CC=CC=C2N=C1C(CCSC)NC(=O)C3=CNC(=O)C4=CC=CC=C43
InChI=1SC22H22N4O2Sc126191065917(19)2420(26)18(1112292)2522(28)16132321(27)15843714(15)16h3101318H1112H212H3(H2327)(H2528)
MFCD30710303
N(1(1methylbenzimidazol2yl)3methylsulfanylpropyl)1oxo2Hisoquinoline4carboxamide
ZINC000218346532
ZINC000252527501
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