Vitas-M small molecule compound
(2E,9E)-2-(3-bromobenzylidene)-9-(4-ethoxybenzylidene)-5-(4-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one
Catalog ID
STL115175
SMILES CCOc1ccc(cc1)/C=C/1\CCCC2=C1N=c1s/c(=C/c3cccc(c3)Br)/c(=O)n1C2c1ccc(cc1)OCC
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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 C34H31BrN2O3S MW 627.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31BrN2O3S/c1-3-39-27-15-11-22(12-16-27)19-25-8-6-10-29-31(25)36-34-37(32(29)24-13-17-28(18-14-24)40-4-2)33(38)30(41-34)21-23-7-5-9-26(35)20-23/h5,7,9,11-21,32H,3-4,6,8,10H2,1-2H3/b25-19+,30-21+InChIKey
WQENJRJIXCJDBQ-ZNZJSCOGSA-NSynonyms
(2E9E)2((3bromophenyl)methylidene)5(4ethoxyphenyl)9((4ethoxyphenyl)methylidene)5678tetrahydro(13)thiazolo(23b)quinazolin3one
(2E9E)2(3bromobenzylidene)9(4ethoxybenzylidene)5(4ethoxyphenyl)6789tetrahydro5H(13)thiazolo(23b)quinazolin3(2H)one
CCOC1=CC=C(C=C1)C=C2CCCC3=C2N=C4N(C3C5=CC=C(C=C5)OCC)C(=O)C(=CC6=CC(=CC=C6)Br)S4
CCOc1ccc(cc1)C=C1CCCC2=C1N=c1sc(=Cc3cccc(c3)Br)c(=O)n1C2c1ccc(cc1)OCC
InChI=1SC34H31BrN2O3Sc133927151122(121627)192586102931(25)363437(32(29)24131728(181424)4042)33(38)30(4134)212375926(35)2023h579112132H346810H212H3b2519+3021+
MFCD03177130
ZINC000097970859
ZINC000097970860
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