Vitas-M small molecule compound
(10E)-10-(4-methoxy-3-nitrobenzylidene)-7-(3-nitrophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK742966
SMILES COc1ccc(cc1[N+](=O)[O-])/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 C28H20N4O6S MW 540.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N4O6S/c1-38-23-12-9-16(13-22(23)32(36)37)14-24-27(33)30-26(18-6-4-7-19(15-18)31(34)35)21-11-10-17-5-2-3-8-20(17)25(21)29-28(30)39-24/h2-9,12-15,26H,10-11H2,1H3/b24-14+InChIKey
BIFKSNWBQFHIFW-ZVHZXABRSA-NSynonyms
(10E)10(4methoxy3nitrobenzylidene)7(3nitrophenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)10(4methoxy3nitrobenzylidene)7(3nitrophenyl)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
COC1=C(C=C(C=C1)C=C2C(=O)N3C(C4=C(C5=CC=CC=C5CC4)N=C3S2)C6=CC(=CC=C6)(N+)(=O)(O))(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C=c1sc2=NC3=C(C(n2c1=O)c1cccc(c1)(N+)(=O)(O))CCc1c3cccc1
InChI=1SC28H20N4O6Sc1382312916(1322(23)32(36)37)142427(33)3026(1864719(1518)31(34)35)21111017523820(17)25(21)2928(30)3924h29121526H1011H21H3b2414+
MFCD03548519
ZINC000100954069
ZINC000100954073
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