Vitas-M small molecule compound
4-bromo-2-{(E)-[7-(4-chlorophenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-12-ium-10(9H)-ylidene]methyl}-6-methoxyphenolate
Catalog ID
STK567389
SMILES COc1cc(Br)cc(c1[O-])/C=c\1/sc2=[NH+]C3=C(C(n2c1=O)c1ccc(cc1)Cl)CCc1c3cccc1
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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 C28H20BrClN2O3S MW 579.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20BrClN2O3S/c1-35-22-14-18(29)12-17(26(22)33)13-23-27(34)32-25(16-6-9-19(30)10-7-16)21-11-8-15-4-2-3-5-20(15)24(21)31-28(32)36-23/h2-7,9-10,12-14,25,33H,8,11H2,1H3/b23-13+InChIKey
LZQCFDIUAATBPB-YDZHTSKRSA-NSynonyms
COc1cc(Br)cc(c1(O))C=c1sc2=(NH+)C3=C(C(n2c1=O)c1ccc(cc1)Cl)CCc1c3cccc1
MFCD02953614
ZINC000102547225
ZINC000102547231
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