Vitas-M small molecule compound
4-[(4-{(E)-[2-(acetylamino)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}-2-chloro-6-methoxyphenoxy)methyl]benzoic acid
Catalog ID
STK111195
SMILES COc1cc(/C=C\2/SC(=NC2=O)NC(=O)C)cc(c1OCc1ccc(cc1)C(=O)O)Cl
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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 C21H17ClN2O6S MW 460.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O6S/c1-11(25)23-21-24-19(26)17(31-21)9-13-7-15(22)18(16(8-13)29-2)30-10-12-3-5-14(6-4-12)20(27)28/h3-9H,10H2,1-2H3,(H,27,28)(H,23,24,25,26)/b17-9+InChIKey
YSNLOZCEXXRGNC-RQZCQDPDSA-NSynonyms
4((4((E)(2(ACETYLAMINO)4OXO13THIAZOL5(4H)YLIDENE)METHYL)2CHLORO6METHOXYPHENOXY)METHYL)BENZOICACID
4((4((E)(2ACETAMIDO4OXO13THIAZOL5YLIDENE)METHYL)2CHLORO6METHOXYPHENOXY)METHYL)BENZOICACID
CC(=O)NC1=NC(=O)C(=CC2=CC(=C(C(=C2)Cl)OCC3=CC=C(C=C3)C(=O)O)OC)S1
COc1cc(C=C2SC(=NC2=O)NC(=O)C)cc(c1OCc1ccc(cc1)C(=O)O)Cl
InChI=1SC21H17ClN2O6Sc111(25)23212419(26)17(3121)913715(22)18(16(813)292)3010123514(6412)20(27)28h39H10H212H3(H2728)(H23242526)b179+
MFCD04127111
ZINC000012468504
ZINC12468504
Check stock
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Check stock on Vitas-MAvailable files
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