Vitas-M small molecule compound
2-(5-chloro-1,3-benzoxazol-3-ium-2-yl)-5-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)phenolate
Catalog ID
STL055404
SMILES S=C(Nc1ccc(c(c1)[O-])c1oc2c([nH+]1)cc(cc2)Cl)NC(=O)/C=C/c1ccco1
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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 C21H14ClN3O4S MW 439.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClN3O4S/c22-12-3-7-18-16(10-12)24-20(29-18)15-6-4-13(11-17(15)26)23-21(30)25-19(27)8-5-14-2-1-9-28-14/h1-11,26H,(H2,23,25,27,30)/b8-5+InChIKey
QXHNYLZWEPRFNZ-VMPITWQZSA-NSynonyms
585557-25-12(5chloro13benzoxazol3ium2yl)5((((2E)3(furan2yl)prop2enoyl)carbamothioyl)amino)phenolate
585557251
MFCD03834892
S=C(Nc1ccc(c(c1)(O))c1oc2c((nH+)1)cc(cc2)Cl)NC(=O)C=Cc1ccco1
ZINC000001901096
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