Vitas-M small molecule compound
4-(1H-benzimidazol-2-ylsulfanyl)-1-(4-tert-butylphenyl)butan-1-one
Catalog ID
STK779957
SMILES O=C(c1ccc(cc1)C(C)(C)C)CCCSc1nc2c([nH]1)cccc2
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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 C21H24N2OS MW 352.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2OS/c1-21(2,3)16-12-10-15(11-13-16)19(24)9-6-14-25-20-22-17-7-4-5-8-18(17)23-20/h4-5,7-8,10-13H,6,9,14H2,1-3H3,(H,22,23)InChIKey
STITVIVDFXELAB-UHFFFAOYSA-NSynonyms
1BUTANONE4(1H13BENZIMIDAZOL2YLTHIO)1(4(11DIMETHYLETHYL)PHENYL)
4(1Hbenzimidazol2ylsulfanyl)1(4tertbutylphenyl)butan1one
CC(C)(C)C1=CC=C(C=C1)C(=O)CCCSC2=NC3=CC=CC=C3N2
InChI=1SC21H24N2OSc121(23)16121015(111316)19(24)961425202217745818(17)2320h45781013H6914H213H3(H2223)
MFCD05859544
O=C(c1ccc(cc1)C(C)(C)C)CCCSc1nc2c((nH)1)cccc2
ZINC000004593598
ZINC04593598
ZINC4593598
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