Vitas-M small molecule compound
ethyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
Catalog ID
STK732677
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CC1N(Cc2ccc3c(c2)OCO3)C(=S)N(C1=O)Cc1ccccc1
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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 C29H27N3O6S MW 545.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O6S/c1-2-36-28(35)21-9-11-22(12-10-21)30-26(33)15-23-27(34)32(16-19-6-4-3-5-7-19)29(39)31(23)17-20-8-13-24-25(14-20)38-18-37-24/h3-14,23H,2,15-18H2,1H3,(H,30,33)InChIKey
HJAQJQBNEJHOKH-UHFFFAOYSA-NSynonyms
1079334-67-01079334670
CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5
ETHYL4((((4S)3(13BENZODIOXOL5YLMETHYL)1BENZYL5OXO2THIOXOIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
ethyl4(((3(13benzodioxol5ylmethyl)1benzyl5oxo2thioxoimidazolidin4yl)acetyl)amino)benzoate
ETHYL4((2(3(13BENZODIOXOL5YLMETHYL)1BENZYL5OXO2SULFANYLIDENEIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
ethyl4(2(3(benzo(d)(13)dioxol5ylmethyl)1benzyl5oxo2thioxoimidazolidin4yl)acetamido)benzoate
InChI=1SC29H27N3O6Sc123628(35)2191122(121021)3026(33)152327(34)32(16196435719)29(39)31(23)17208132425(1420)38183724h31423H21518H21H3(H3033)
MFCD03675703
ZINC000001077958
ZINC000001077962
Check stock
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Check stock on Vitas-MAvailable files
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