Vitas-M small molecule compound
methyl [(5Z)-3-(4-ethylphenyl)-5-(3-hydroxy-4-methoxybenzylidene)-4-oxo-2-thioxoimidazolidin-1-yl]acetate
Catalog ID
STK054472
SMILES COC(=O)CN1C(=S)N(C(=O)/C/1=C/c1ccc(c(c1)O)OC)c1ccc(cc1)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 C22H22N2O5S MW 426.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5S/c1-4-14-5-8-16(9-6-14)24-21(27)17(23(22(24)30)13-20(26)29-3)11-15-7-10-19(28-2)18(25)12-15/h5-12,25H,4,13H2,1-3H3/b17-11-InChIKey
QYLBHYIXNDMLSZ-BOPFTXTBSA-NSynonyms
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC)O)N(C2=S)CC(=O)OC
COC(=O)CN1C(=S)N(C(=O)C1=Cc1ccc(c(c1)O)OC)c1ccc(cc1)CC
InChI=1SC22H22N2O5Sc14145816(9614)2421(27)17(23(22(24)30)1320(26)293)111571019(282)18(25)1215h51225H413H213H3b1711
METHYL((5Z)3(4ETHYLPHENYL)5(3HYDROXY4METHOXYBENZYLIDENE)4OXO2THIOXOIMIDAZOLIDIN1YL)ACETATE
METHYL2((5Z)3(4ETHYLPHENYL)5((3HYDROXY4METHOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENEIMIDAZOLIDIN1YL)ACETATE
MFCD04087016
STK054472
ZINC000030702323
ZINC30702323
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