Vitas-M small molecule compound
(10Z)-10-[(5-bromofuran-2-yl)methylidene]-7-(3,4-dimethoxyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK027594
SMILES COc1ccc(cc1OC)C1C2=C(N=c3n1c(=O)/c(=C/c1ccc(o1)Br)/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 C27H21BrN2O4S MW 549.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21BrN2O4S/c1-32-20-11-8-16(13-21(20)33-2)25-19-10-7-15-5-3-4-6-18(15)24(19)29-27-30(25)26(31)22(35-27)14-17-9-12-23(28)34-17/h3-6,8-9,11-14,25H,7,10H2,1-2H3/b22-14-InChIKey
IJZNZBRPKYGTPM-HMAPJEAMSA-NSynonyms
724747-34-6(10Z)10((5BROMOFURAN2YL)METHYLIDENE)7(34DIMETHOXYPHENYL)57DIHYDRO6HBENZO(H)(13)THIAZOLO(23B)QUINAZOLIN9(10H)ONE
(Z)10((5bromofuran2yl)methylene)7(34dimethoxyphenyl)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
724747346
COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC=C(O6)Br)S5)OC
COc1ccc(cc1OC)C1C2=C(N=c3n1c(=O)c(=Cc1ccc(o1)Br)s3)c1c(CC2)cccc1
InChI=1SC27H21BrN2O4Sc1322011816(1321(20)332)251910715534618(15)24(19)292730(25)26(31)22(3527)141791223(28)3417h3689111425H710H212H3b2214
MFCD01970172
STK027594
ZINC000002368176
ZINC000002368180
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