Vitas-M small molecule compound
(10E)-10-{3-[(4-bromobenzyl)oxy]benzylidene}-7-(4-chlorophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK325746
SMILES Clc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1cccc(c1)OCc1ccc(cc1)Br)/s3)c1c(CC2)cccc1
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C34H24BrClN2O2S MW 640.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H24BrClN2O2S/c35-25-13-8-21(9-14-25)20-40-27-6-3-4-22(18-27)19-30-33(39)38-32(24-10-15-26(36)16-11-24)29-17-12-23-5-1-2-7-28(23)31(29)37-34(38)41-30/h1-11,13-16,18-19,32H,12,17,20H2/b30-19+InChIKey
WBYPEKJGQYYTPQ-NDZAJKAJSA-NSynonyms
(10E)10(3((4bromobenzyl)oxy)benzylidene)7(4chlorophenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)10(3((4bromobenzyl)oxy)benzylidene)7(4chlorophenyl)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
C1CC2=C(C3=CC=CC=C31)N=C4N(C2C5=CC=C(C=C5)Cl)C(=O)C(=CC6=CC(=CC=C6)OCC7=CC=C(C=C7)Br)S4
Clc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1cccc(c1)OCc1ccc(cc1)Br)s3)c1c(CC2)cccc1
InChI=1SC34H24BrClN2O2Sc352513821(91425)20402763422(1827)193033(39)3832(24101526(36)161124)29171223512728(23)31(29)3734(38)4130h1111316181932H121720H2b3019+
MFCD05040568
ZINC000097962524
ZINC000097962525
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