Vitas-M small molecule compound
(2E,9E)-2-benzylidene-9-(4-methoxybenzylidene)-5-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one
Catalog ID
STK754633
SMILES COc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1ccccc1)/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 C32H28N2O3S MW 520.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N2O3S/c1-36-25-15-11-22(12-16-25)19-24-9-6-10-27-29(24)33-32-34(30(27)23-13-17-26(37-2)18-14-23)31(35)28(38-32)20-21-7-4-3-5-8-21/h3-5,7-8,11-20,30H,6,9-10H2,1-2H3/b24-19+,28-20+InChIKey
OYCBNGBAQHNCIC-KKBYEHGXSA-NSynonyms
(2E9E)2benzylidene5(4methoxyphenyl)9((4methoxyphenyl)methylidene)5678tetrahydro(13)thiazolo(23b)quinazolin3one
(2E9E)2benzylidene9(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)S4
COc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1ccccc1)s3)C(=Cc1ccc(cc1)OC)CCC2
InChI=1SC32H28N2O3Sc13625151122(121625)192496102729(24)333234(30(27)23131726(372)181423)31(35)28(3832)20217435821h3578112030H6910H212H3b2419+2820+
MFCD00826302
ZINC000008856270
ZINC000012420229
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