Vitas-M small molecule compound
1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethanone
Catalog ID
STK700667
SMILES O=C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)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 C25H32N2O2S MW 424.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2O2S/c1-14-9-19-20(10-15(14)2)27-23(26-19)30-13-21(28)16-11-17(24(3,4)5)22(29)18(12-16)25(6,7)8/h9-12,29H,13H2,1-8H3,(H,26,27)InChIKey
DWEMSPWJAONAEW-UHFFFAOYSA-NSynonyms
371952-74-81(35ditertbutyl4hydroxyphenyl)2((56dimethyl1Hbenzimidazol2yl)sulfanyl)ethanone
1(35ditertbutyl4hydroxyphenyl)2((56dimethyl1Hbenzo(d)imidazol2yl)thio)ethanone
371952748
CC1=CC2=C(C=C1C)N=C(N2)SCC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C
InChI=1SC25H32N2O2Sc11491920(1015(14)2)2723(2619)301321(28)161117(24(34)5)22(29)18(1216)25(67)8h91229H13H218H3(H2627)
MFCD01875001
O=C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)CSc1(nH)c2c(n1)cc(c(c2)C)C
ZINC000002270685
ZINC02270685
ZINC2270685
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