Vitas-M small molecule compound
(10E)-10-(5-bromo-2-hydroxybenzylidene)-7-(3-methoxyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK325854
SMILES COc1cccc(c1)C1C2=C(N=c3n1c(=O)/c(=C\c1cc(Br)ccc1O)/s3)c1c(CC2)cccc1
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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 C28H21BrN2O3S MW 545.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21BrN2O3S/c1-34-20-7-4-6-17(14-20)26-22-11-9-16-5-2-3-8-21(16)25(22)30-28-31(26)27(33)24(35-28)15-18-13-19(29)10-12-23(18)32/h2-8,10,12-15,26,32H,9,11H2,1H3/b24-15+InChIKey
LXFJBMSVNYCNNA-BUVRLJJBSA-NSynonyms
(10E)10(5bromo2hydroxybenzylidene)7(3methoxyphenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)10(5bromo2hydroxybenzylidene)7(3methoxyphenyl)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
COC1=CC=CC(=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=C(C=CC(=C6)Br)O)S5
COc1cccc(c1)C1C2=C(N=c3n1c(=O)c(=Cc1cc(Br)ccc1O)s3)c1c(CC2)cccc1
InChI=1SC28H21BrN2O3Sc1342074617(1420)262211916523821(16)25(22)302831(26)27(33)24(3528)15181319(29)101223(18)32h281012152632H911H21H3b2415+
MFCD04227253
ZINC000097962532
ZINC000097962533
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