Vitas-M small molecule compound
(10Z)-10-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-7-(2,5-dimethoxyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK063301
SMILES COc1ccc(c(c1)C1C2=C(N=c3n1c(=O)/c(=C/c1cc4OCOc4cc1Br)/s3)c1c(CC2)cccc1)OC
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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 C30H23BrN2O5S MW 603.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23BrN2O5S/c1-35-18-8-10-23(36-2)21(13-18)28-20-9-7-16-5-3-4-6-19(16)27(20)32-30-33(28)29(34)26(39-30)12-17-11-24-25(14-22(17)31)38-15-37-24/h3-6,8,10-14,28H,7,9,15H2,1-2H3/b26-12-InChIKey
WZZHJTSHRCOSAE-ZRGSRPPYSA-NSynonyms
(10Z)10((6BROMO13BENZODIOXOL5YL)METHYLIDENE)7(25DIMETHOXYPHENYL)57DIHYDRO6HBENZO(H)(13)THIAZOLO(23B)QUINAZOLIN9(10H)ONE
COC1=CC(=C(C=C1)OC)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC7=C(C=C6Br)OCO7)S5
COc1ccc(c(c1)C1C2=C(N=c3n1c(=O)c(=Cc1cc4OCOc4cc1Br)s3)c1c(CC2)cccc1)OC
InChI=1SC30H23BrN2O5Sc1351881023(362)21(1318)28209716534619(16)27(20)323033(28)29(34)26(3930)1217112425(1422(17)31)38153724h368101428H7915H212H3b2612
MFCD08051638
STK063301
ZINC000097958831
ZINC000097958832
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