Vitas-M small molecule compound
(10Z)-10-{3-bromo-4-[(4-nitrobenzyl)oxy]benzylidene}-7-(3,4-dimethoxyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK742947
SMILES COc1ccc(cc1OC)C1C2=C(N=c3n1c(=O)/c(=C/c1ccc(c(c1)Br)OCc1ccc(cc1)[N+](=O)[O-])/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 C36H28BrN3O6S MW 710.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H28BrN3O6S/c1-44-30-16-11-24(19-31(30)45-2)34-27-14-10-23-5-3-4-6-26(23)33(27)38-36-39(34)35(41)32(47-36)18-22-9-15-29(28(37)17-22)46-20-21-7-12-25(13-8-21)40(42)43/h3-9,11-13,15-19,34H,10,14,20H2,1-2H3/b32-18-InChIKey
WQCNFKGZSJKVMY-CAQPMQTCSA-NSynonyms
(10Z)10(3bromo4((4nitrobenzyl)oxy)benzylidene)7(34dimethoxyphenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)10(3bromo4((4nitrobenzyl)oxy)benzylidene)7(34dimethoxyphenyl)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC(=C(C=C6)OCC7=CC=C(C=C7)(N+)(=O)(O))Br)S5)OC
COc1ccc(cc1OC)C1C2=C(N=c3n1c(=O)c(=Cc1ccc(c(c1)Br)OCc1ccc(cc1)(N+)(=O)(O))s3)c1c(CC2)cccc1
InChI=1SC36H28BrN3O6Sc14430161124(1931(30)452)3427141023534626(23)33(27)383639(34)35(41)32(4736)182291529(28(37)1722)46202171225(13821)40(42)43h391113151934H101420H212H3b3218
MFCD03667897
ZINC000150385662
ZINC000150385663
Check stock
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Check stock on Vitas-MAvailable files
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