Vitas-M small molecule compound
N-[1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Catalog ID
STL421484
SMILES CSCCC(c1nc2c(n1C)cccc2)NC(=O)c1ccc2c(c1)OCCCO2
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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 C22H25N3O3S MW 411.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3S/c1-25-18-7-4-3-6-16(18)23-21(25)17(10-13-29-2)24-22(26)15-8-9-19-20(14-15)28-12-5-11-27-19/h3-4,6-9,14,17H,5,10-13H2,1-2H3,(H,24,26)InChIKey
DKWUASDNCAKNOU-UHFFFAOYSA-NSynonyms
(S)N(1(1methyl1Hbenzo(d)imidazol2yl)3(methylthio)propyl)34dihydro2Hbenzo(b)(14)dioxepine7carboxamide
CN1C2=CC=CC=C2N=C1C(CCSC)NC(=O)C3=CC4=C(C=C3)OCCCO4
CSCC(C@@H)(c1nc2c(n1C)cccc2)NC(=O)c1ccc2c(c1)OCCCO2
InChI=1SC22H25N3O3Sc12518743616(18)2321(25)17(1013292)2422(26)15891920(1415)28125112719h34691417H51013H212H3(H2426)
MFCD30707554
N(1(1methyl1Hbenzimidazol2yl)3(methylsulfanyl)propyl)34dihydro2H15benzodioxepine7carboxamide
N(1(1methylbenzimidazol2yl)3methylsulfanylpropyl)34dihydro2H15benzodioxepine7carboxamide
ZINC000218255806
ZINC000252482614
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