Vitas-M small molecule compound
(10E)-7-(4-chlorophenyl)-10-{3-iodo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STL025929
SMILES COc1cc(cc(c1OCc1ccc(cc1)[N+](=O)[O-])I)/C=c\1/sc2=NC3=C(C(n2c1=O)c1ccc(cc1)Cl)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 C35H25ClIN3O5S MW 762.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H25ClIN3O5S/c1-44-29-17-21(16-28(37)33(29)45-19-20-6-13-25(14-7-20)40(42)43)18-30-34(41)39-32(23-8-11-24(36)12-9-23)27-15-10-22-4-2-3-5-26(22)31(27)38-35(39)46-30/h2-9,11-14,16-18,32H,10,15,19H2,1H3/b30-18+InChIKey
YZVBDKSNARAFSN-UXHLAJHPSA-NSynonyms
(10E)7(4chlorophenyl)10(3iodo5methoxy4((4nitrobenzyl)oxy)benzylidene)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)7(4chlorophenyl)10(3iodo5methoxy4((4nitrobenzyl)oxy)benzylidene)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=C(C=C6)Cl)I)OCC7=CC=C(C=C7)(N+)(=O)(O)
COc1cc(cc(c1OCc1ccc(cc1)(N+)(=O)(O))I)C=c1sc2=NC3=C(C(n2c1=O)c1ccc(cc1)Cl)CCc1c3cccc1
InChI=1SC35H25ClIN3O5Sc144291721(1628(37)33(29)45192061325(14720)40(42)43)183034(41)3932(2381124(36)12923)27151022423526(22)31(27)3835(39)4630h291114161832H101519H21H3b3018+
MFCD02771895
ZINC000150579705
ZINC000150579713
Check stock
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Check stock on Vitas-MAvailable files
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