Vitas-M small molecule compound
2-bromo-4-{(E)-[2-(morpholin-4-ium-4-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}phenolate
Catalog ID
STL057636
SMILES O=C1N=C(S/C/1=C/c1ccc(c(c1)Br)[O-])[NH+]1CCOCC1
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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 C14H13BrN2O3S MW 369.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13BrN2O3S/c15-10-7-9(1-2-11(10)18)8-12-13(19)16-14(21-12)17-3-5-20-6-4-17/h1-2,7-8,18H,3-6H2/b12-8+InChIKey
RNKDVYCYRGDGJM-XYOKQWHBSA-NSynonyms
724747-93-7(5E)5((3BROMO4HYDROXYPHENYL)METHYLIDENE)2MORPHOLIN4YL13THIAZOL4ONE
2bromo4((E)(2(morpholin4ium4yl)4oxo13thiazol5(4H)ylidene)methyl)phenolate
2BROMO4((E)(2MORPHOLIN4IUM4YL4OXO13THIAZOL5YLIDENE)METHYL)PHENOLATE
724747937
C1COCC(NH+)1C2=NC(=O)C(=CC3=CC(=C(C=C3)(O))Br)S2
InChI=1SC14H13BrN2O3Sc151079(1211(10)18)81213(19)1614(2112)1735206417h127818H36H2b128+
MFCD04178573
O=C1N=C(SC1=Cc1ccc(c(c1)Br)(O))(NH+)1CCOCC1
ZINC000002589198
ZINC02589198
ZINC2589198
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