Vitas-M small molecule compound
(10E)-10-{4-[(2-fluorobenzyl)oxy]-3-iodo-5-methoxybenzylidene}-7-(3-methoxyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK325845
SMILES COc1cccc(c1)C1C2=C(N=c3n1c(=O)/c(=C\c1cc(I)c(c(c1)OC)OCc1ccccc1F)/s3)c1c(CC2)cccc1
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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 C36H28FIN2O4S MW 730.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H28FIN2O4S/c1-42-25-11-7-10-23(19-25)33-27-15-14-22-8-3-5-12-26(22)32(27)39-36-40(33)35(41)31(45-36)18-21-16-29(38)34(30(17-21)43-2)44-20-24-9-4-6-13-28(24)37/h3-13,16-19,33H,14-15,20H2,1-2H3/b31-18+InChIKey
FQUOXTQJCPSSBD-FDAWAROLSA-NSynonyms
(10E)10(4((2fluorobenzyl)oxy)3iodo5methoxybenzylidene)7(3methoxyphenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)10(4((2fluorobenzyl)oxy)3iodo5methoxybenzylidene)7(3methoxyphenyl)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
COC1=CC=CC(=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC(=C(C(=C6)I)OCC7=CC=CC=C7F)OC)S5
COc1cccc(c1)C1C2=C(N=c3n1c(=O)c(=Cc1cc(I)c(c(c1)OC)OCc1ccccc1F)s3)c1c(CC2)cccc1
InChI=1SC36H28FIN2O4Sc142251171023(1925)33271514228351226(22)32(27)393640(33)35(41)31(4536)18211629(38)34(30(1721)432)4420249461328(24)37h313161933H141520H212H3b3118+
MFCD02818550
ZINC000097965502
ZINC000097965503
Check stock
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Check stock on Vitas-MAvailable files
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