Vitas-M small molecule compound
(10E)-10-{3,5-diiodo-4-[(4-nitrobenzyl)oxy]benzylidene}-7-(3-nitrophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STL025925
SMILES Ic1cc(cc(c1OCc1ccc(cc1)[N+](=O)[O-])I)/C=c\1/sc2=NC3=C(C(n2c1=O)c1cccc(c1)[N+](=O)[O-])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 C34H22I2N4O6S MW 868.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H22I2N4O6S/c35-27-14-20(15-28(36)32(27)46-18-19-8-11-23(12-9-19)39(42)43)16-29-33(41)38-31(22-5-3-6-24(17-22)40(44)45)26-13-10-21-4-1-2-7-25(21)30(26)37-34(38)47-29/h1-9,11-12,14-17,31H,10,13,18H2/b29-16+InChIKey
KSQULDNYTGSKQM-MUFRIFMGSA-NSynonyms
(10E)10(35diiodo4((4nitrobenzyl)oxy)benzylidene)7(3nitrophenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)10(35diiodo4((4nitrobenzyl)oxy)benzylidene)7(3nitrophenyl)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
C1CC2=C(C3=CC=CC=C31)N=C4N(C2C5=CC(=CC=C5)(N+)(=O)(O))C(=O)C(=CC6=CC(=C(C(=C6)I)OCC7=CC=C(C=C7)(N+)(=O)(O))I)S4
Ic1cc(cc(c1OCc1ccc(cc1)(N+)(=O)(O))I)C=c1sc2=NC3=C(C(n2c1=O)c1cccc(c1)(N+)(=O)(O))CCc1c3cccc1
InChI=1SC34H22I2N4O6Sc35271420(1528(36)32(27)46181981123(12919)39(42)43)162933(41)3831(2253624(1722)40(44)45)26131021412725(21)30(26)3734(38)4729h191112141731H101318H2b2916+
MFCD04227251
ZINC000150634700
ZINC000150634702
Check stock
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Check stock on Vitas-MAvailable files
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