Vitas-M small molecule compound
methyl (2Z)-5-benzyl-2-[(2,3-dihydro-1-benzofuran-6-ylacetyl)imino]-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL311644
SMILES COC(=O)c1[nH]/c(=N/C(=O)Cc2ccc3c(c2)OCC3)/sc1Cc1ccccc1
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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 C22H20N2O4S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O4S/c1-27-21(26)20-18(12-14-5-3-2-4-6-14)29-22(24-20)23-19(25)13-15-7-8-16-9-10-28-17(16)11-15/h2-8,11H,9-10,12-13H2,1H3,(H,23,24,25)InChIKey
HQQNICXIBYDVKH-UHFFFAOYSA-NSynonyms
1401600-87-01401600870
COC(=O)c1(nH)c(=NC(=O)Cc2ccc3c(c2)OCC3)sc1Cc1ccccc1
COC(=O)C1=C(SC(=N1)NC(=O)CC2=CC3=C(CCO3)C=C2)CC4=CC=CC=C4
InChI=1SC22H20N2O4Sc12721(26)2018(12145324614)2922(2420)2319(25)131578169102817(16)1115h2811H9101213H21H3(H232425)
methyl(2Z)5benzyl2((23dihydro1benzofuran6ylacetyl)imino)23dihydro13thiazole4carboxylate
methyl5benzyl2((2(23dihydro1benzofuran6yl)acetyl)amino)13thiazole4carboxylate
MFCD28026211
ZINC000079488812
ZINC79488812
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