Vitas-M small molecule compound
1-(azepan-1-yl)-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethanone
Catalog ID
STL091371
SMILES O=C(N1CCCCCC1)CSc1[nH]c2c(n1)cc(c(c2)C)C
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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 C17H23N3OS MW 317.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23N3OS/c1-12-9-14-15(10-13(12)2)19-17(18-14)22-11-16(21)20-7-5-3-4-6-8-20/h9-10H,3-8,11H2,1-2H3,(H,18,19)InChIKey
SCVDDQWJKZOYNL-UHFFFAOYSA-NSynonyms
1(azepan1yl)2((56dimethyl1Hbenzimidazol2yl)sulfanyl)ethanone
2(1AZEPANYL)2OXOETHYL56DIMETHYL1HBENZIMIDAZOL2YLSULFIDE
CC1=CC2=C(C=C1C)N=C(N2)SCC(=O)N3CCCCCC3
InChI=1SC17H23N3OSc11291415(1013(12)2)1917(1814)221116(21)2075346820h910H3811H212H3(H1819)
MFCD18204624
O=C(N1CCCCCC1)CSc1(nH)c2c(n1)cc(c(c2)C)C
ZINC000019824694
ZINC19824694
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