Vitas-M small molecule compound
{5-[(1-ethoxy-1-oxobutan-2-yl)sulfanyl]-2-phenyl-1H-imidazol-4-yl}(triphenyl)phosphonium
Catalog ID
STL059234
SMILES CCOC(=O)C(Sc1[nH]c(nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)CC
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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 C33H32N2O2PS MW 551.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N2O2PS/c1-3-29(33(36)37-4-2)39-32-31(34-30(35-32)25-17-9-5-10-18-25)38(26-19-11-6-12-20-26,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24,29H,3-4H2,1-2H3,(H,34,35)/q+1InChIKey
WVTWHCZPNOAVSH-UHFFFAOYSA-NSynonyms
(4(1ETHOXY1OXOBUTAN2YL)SULFANYL2PHENYL1HIMIDAZOL5YL)TRIPHENYLPHOSPHANIUM
(5((1ethoxy1oxobutan2yl)sulfanyl)2phenyl1Himidazol4yl)(triphenyl)phosphonium
(5((1ethoxy1oxobutan2yl)thio)2phenyl1Himidazol4yl)triphenylphosphoniumbromide
CCC(C(=O)OCC)SC1=C(NC(=N1)C2=CC=CC=C2)(P+)(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
CCOC(=O)C(Sc1(nH)c(nc1(P+)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)CC
CCOC(=O)C(Sc1(nH)c(nc1(P+)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)CC(Br)
InChI=1SC33H32N2O2PSc1329(33(36)3742)393231(3430(3532)251795101825)38(26191161220262721137142227)2823158162428h52429H34H212H3(H3435)q+1
ZINC000096022585
ZINC000096022586
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