Vitas-M small molecule compound
(10E)-10-{3-bromo-4-[(4-chlorobenzyl)oxy]-5-methoxybenzylidene}-7-(thiophen-2-yl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK325999
SMILES COc1cc(cc(c1OCc1ccc(cc1)Cl)Br)/C=c\1/sc2=NC3=C(C(n2c1=O)c1cccs1)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 C33H24BrClN2O3S2 MW 676.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H24BrClN2O3S2/c1-39-26-16-20(15-25(34)31(26)40-18-19-8-11-22(35)12-9-19)17-28-32(38)37-30(27-7-4-14-41-27)24-13-10-21-5-2-3-6-23(21)29(24)36-33(37)42-28/h2-9,11-12,14-17,30H,10,13,18H2,1H3/b28-17+InChIKey
XHMIEHZENXOJDE-OGLMXYFKSA-NSynonyms
(10E)10(3bromo4((4chlorobenzyl)oxy)5methoxybenzylidene)7(thiophen2yl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)10(3bromo4((4chlorobenzyl)oxy)5methoxybenzylidene)7(thiophen2yl)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
COC1=C(C(=CC(=C1)C=C2C(=O)N3C(C4=C(C5=CC=CC=C5CC4)N=C3S2)C6=CC=CS6)Br)OCC7=CC=C(C=C7)Cl
COc1cc(cc(c1OCc1ccc(cc1)Cl)Br)C=c1sc2=NC3=C(C(n2c1=O)c1cccs1)CCc1c3cccc1
InChI=1SC33H24BrClN2O3S2c139261620(1525(34)31(26)40181981122(35)12919)172832(38)3730(2774144127)24131021523623(21)29(24)3633(37)4228h291112141730H101318H21H3b2817+
MFCD04227334
ZINC000097965508
ZINC000097965509
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