Vitas-M small molecule compound
(2E,9E)-2-(3-bromobenzylidene)-9-(4-methoxybenzylidene)-5-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one
Catalog ID
STL115173
SMILES COc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1cccc(c1)Br)/s3)/C(=C/c1ccc(cc1)OC)/CCC2
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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 C32H27BrN2O3S MW 599.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27BrN2O3S/c1-37-25-13-9-20(10-14-25)17-23-6-4-8-27-29(23)34-32-35(30(27)22-11-15-26(38-2)16-12-22)31(36)28(39-32)19-21-5-3-7-24(33)18-21/h3,5,7,9-19,30H,4,6,8H2,1-2H3/b23-17+,28-19+InChIKey
BOKZIWDQPUFXEU-KKEQAULCSA-NSynonyms
(2E9E)2((3bromophenyl)methylidene)5(4methoxyphenyl)9((4methoxyphenyl)methylidene)5678tetrahydro(13)thiazolo(23b)quinazolin3one
(2E9E)2(3bromobenzylidene)9(4methoxybenzylidene)5(4methoxyphenyl)6789tetrahydro5H(13)thiazolo(23b)quinazolin3(2H)one
COC1=CC=C(C=C1)C=C2CCCC3=C2N=C4N(C3C5=CC=C(C=C5)OC)C(=O)C(=CC6=CC(=CC=C6)Br)S4
COc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1cccc(c1)Br)s3)C(=Cc1ccc(cc1)OC)CCC2
InChI=1SC32H27BrN2O3Sc1372513920(101425)17236482729(23)343235(30(27)22111526(382)161222)31(36)28(3932)192153724(33)1821h35791930H468H212H3b2317+2819+
MFCD03177128
ZINC000096022601
ZINC000097970856
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