Vitas-M small molecule compound
3-({[(2Z)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3-(2,3,4,5-tetrafluorobenzyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid
Catalog ID
STK111375
SMILES CCOC(=O)c1ccc(cc1)/N=C/1\SC(CC(=O)N1Cc1cc(F)c(c(c1F)F)F)C(=O)Nc1cccc(c1)C(=O)O
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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 C28H21F4N3O6S MW 603.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21F4N3O6S/c1-2-41-27(40)14-6-8-17(9-7-14)34-28-35(13-16-11-19(29)23(31)24(32)22(16)30)21(36)12-20(42-28)25(37)33-18-5-3-4-15(10-18)26(38)39/h3-11,20H,2,12-13H2,1H3,(H,33,37)(H,38,39)/b34-28-InChIKey
UQUABZFOFDQRJW-BFYITVNDSA-NSynonyms
3((((2Z)2((4(ethoxycarbonyl)phenyl)imino)4oxo3(2345tetrafluorobenzyl)13thiazinan6yl)carbonyl)amino)benzoicacid
CCOC(=O)c1ccc(cc1)N=C1SC(CC(=O)N1Cc1cc(F)c(c(c1F)F)F)C(=O)Nc1cccc(c1)C(=O)O
MFCD03941542
ZINC000097959632
ZINC000097959633
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