Vitas-M small molecule compound
ethyl {5-bromo-2-ethoxy-4-[(E)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetate
Catalog ID
STK226503
SMILES CCOc1cc(/C=C\2/SC(=N)NC2=O)c(cc1OCC(=O)OCC)Br
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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 C16H17BrN2O5S MW 429.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrN2O5S/c1-3-22-11-5-9(6-13-15(21)19-16(18)25-13)10(17)7-12(11)24-8-14(20)23-4-2/h5-7H,3-4,8H2,1-2H3,(H2,18,19,21)/b13-6+InChIKey
ZVEUMFKPPQKJKJ-AWNIVKPZSA-NSynonyms
CCOC1=C(C=C(C(=C1)C=C2C(=O)N=C(S2)N)Br)OCC(=O)OCC
CCOc1cc(C=C2SC(=N)NC2=O)c(cc1OCC(=O)OCC)Br
ETHYL(5BROMO2ETHOXY4((E)(2IMINO4OXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)ACETATE
ethyl2(4((E)(2amino4oxo13thiazol5ylidene)methyl)5bromo2ethoxyphenoxy)acetate
InChI=1SC16H17BrN2O5Sc13221159(61315(21)1916(18)2513)10(17)712(11)24814(20)2342h57H348H212H3(H2181921)b136+
MFCD08671095
ZINC000009288372
ZINC09288372
ZINC9288372
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