Vitas-M small molecule compound
(10Z)-10-[4-(benzyloxy)-3,5-diiodobenzylidene]-7-(2-chlorophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK796753
SMILES Ic1cc(cc(c1OCc1ccccc1)I)/C=c/1\sc2=NC3=C(C(n2c1=O)c1ccccc1Cl)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 C34H23ClI2N2O2S MW 812.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H23ClI2N2O2S/c35-26-13-7-6-12-24(26)31-25-15-14-22-10-4-5-11-23(22)30(25)38-34-39(31)33(40)29(42-34)18-21-16-27(36)32(28(37)17-21)41-19-20-8-2-1-3-9-20/h1-13,16-18,31H,14-15,19H2/b29-18-InChIKey
GJKZRNOUDBLNLB-MIXAMLLLSA-NSynonyms
(10Z)10(4(benzyloxy)35diiodobenzylidene)7(2chlorophenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)10(4(benzyloxy)35diiodobenzylidene)7(2chlorophenyl)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
C1CC2=C(C3=CC=CC=C31)N=C4N(C2C5=CC=CC=C5Cl)C(=O)C(=CC6=CC(=C(C(=C6)I)OCC7=CC=CC=C7)I)S4
Ic1cc(cc(c1OCc1ccccc1)I)C=c1sc2=NC3=C(C(n2c1=O)c1ccccc1Cl)CCc1c3cccc1
InChI=1SC34H23ClI2N2O2Sc352613761224(26)312515142210451123(22)30(25)383439(31)33(40)29(4234)18211627(36)32(28(37)1721)4119208213920h113161831H141519H2b2918
MFCD03665475
ZINC000097968870
ZINC000097968871
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