Vitas-M small molecule compound
methyl [(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-ethoxyphenyl)-4-oxo-2-thioxoimidazolidin-1-yl]acetate
Catalog ID
STL369449
SMILES CCOc1ccc(cc1)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)/N(C1=S)CC(=O)OC
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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 C22H20N2O6S MW 440.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O6S/c1-3-28-16-7-5-15(6-8-16)24-21(26)17(23(22(24)31)12-20(25)27-2)10-14-4-9-18-19(11-14)30-13-29-18/h4-11H,3,12-13H2,1-2H3/b17-10-InChIKey
FWNJESZORVWUMI-YVLHZVERSA-NSynonyms
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)N(C2=S)CC(=O)OC
CCOc1ccc(cc1)N1C(=O)C(=Cc2ccc3c(c2)OCO3)N(C1=S)CC(=O)OC
InChI=1SC22H20N2O6Sc1328167515(6816)2421(26)17(23(22(24)31)1220(25)272)1014491819(1114)30132918h411H31213H212H3b1710
methyl((5Z)5(13benzodioxol5ylmethylidene)3(4ethoxyphenyl)4oxo2thioxoimidazolidin1yl)acetate
METHYL2((5Z)5(13BENZODIOXOL5YLMETHYLIDENE)3(4ETHOXYPHENYL)4OXO2SULFANYLIDENEIMIDAZOLIDIN1YL)ACETATE
MFCD04086771
ZINC000009296099
ZINC09296099
ZINC9296099
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