Vitas-M small molecule compound
(10E)-10-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-7-(3-nitrophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK325865
SMILES COc1cc(cc(c1OCc1ccccc1)Br)/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 C35H26BrN3O5S MW 680.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H26BrN3O5S/c1-43-29-17-22(16-28(36)33(29)44-20-21-8-3-2-4-9-21)18-30-34(40)38-32(24-11-7-12-25(19-24)39(41)42)27-15-14-23-10-5-6-13-26(23)31(27)37-35(38)45-30/h2-13,16-19,32H,14-15,20H2,1H3/b30-18+InChIKey
JBOSKZTVUHWPBT-UXHLAJHPSA-NSynonyms
(10E)10(4(benzyloxy)3bromo5methoxybenzylidene)7(3nitrophenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)10(4(benzyloxy)3bromo5methoxybenzylidene)7(3nitrophenyl)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(=CC=C6)(N+)(=O)(O))Br)OCC7=CC=CC=C7
COc1cc(cc(c1OCc1ccccc1)Br)C=c1sc2=NC3=C(C(n2c1=O)c1cccc(c1)(N+)(=O)(O))CCc1c3cccc1
InChI=1SC35H26BrN3O5Sc143291722(1628(36)33(29)4420218324921)183034(40)3832(241171225(1924)39(41)42)2715142310561326(23)31(27)3735(38)4530h213161932H141520H21H3b3018+
MFCD04227244
ZINC000150481654
ZINC000150481656
Check stock
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Check stock on Vitas-MAvailable files
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