Vitas-M small molecule compound

(10E)-10-{[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene}-7-(3-fluorophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one

Catalog ID
STK117512
SMILES Fc1cccc(c1)C1C2=C(N=c3n1c(=O)/c(=C\c1ccc(o1)c1ccc(cc1Br)C)/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 C32H22BrFN2O2S MW 597.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H22BrFN2O2S/c1-18-9-12-24(26(33)15-18)27-14-11-22(38-27)17-28-31(37)36-30(20-6-4-7-21(34)16-20)25-13-10-19-5-2-3-8-23(19)29(25)35-32(36)39-28/h2-9,11-12,14-17,30H,10,13H2,1H3/b28-17+
InChIKey
OUJFAZXHTFGTTA-OGLMXYFKSA-N
Synonyms

(10E)10((5(2BROMO4METHYLPHENYL)FURAN2YL)METHYLIDENE)7(3FLUOROPHENYL)57DIHYDRO6HBENZO(H)(13)THIAZOLO(23B)QUINAZOLIN9(10H)ONE
10((5(2BROMO4METHYLPHENYL)2FURYL)METHYLENE)7(3FLUOROPHENYL)57DIHYDRO6HBENZO(H)(13)THIAZOLO(23B)QUINAZOLIN9(10H)ONE
CC1=CC(=C(C=C1)C2=CC=C(O2)C=C3C(=O)N4C(C5=C(C6=CC=CC=C6CC5)N=C4S3)C7=CC(=CC=C7)F)Br
Fc1cccc(c1)C1C2=C(N=c3n1c(=O)c(=Cc1ccc(o1)c1ccc(cc1Br)C)s3)c1c(CC2)cccc1
InChI=1SC32H22BrFN2O2Sc11891224(26(33)1518)27141122(3827)172831(37)3630(2064721(34)1620)25131019523823(19)29(25)3532(36)3928h291112141730H1013H21H3b2817+
MFCD03867341
ZINC000008441939
ZINC000008441940

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Available files

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