Vitas-M small molecule compound
(9E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-(4-methoxybenzylidene)-5-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Catalog ID
STK544309
SMILES COc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc3c(c1)OCCO3)/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 C33H30N2O4S MW 550.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O4S/c1-36-25-11-6-21(7-12-25)18-24-4-3-5-27-31(24)34-33-35(32(27)22-8-13-26(37-2)14-9-22)28(20-40-33)23-10-15-29-30(19-23)39-17-16-38-29/h6-15,18-20,32H,3-5,16-17H2,1-2H3/b24-18+InChIKey
MNOIHUOMZRUIOY-HKOYGPOVSA-NSynonyms
(9E)3(23dihydro14benzodioxin6yl)5(4methoxyphenyl)9((4methoxyphenyl)methylidene)5678tetrahydro(13)thiazolo(23b)quinazoline
(9E)3(23dihydro14benzodioxin6yl)9(4methoxybenzylidene)5(4methoxyphenyl)6789tetrahydro5H(13)thiazolo(23b)quinazoline
(E)3(23dihydrobenzo(b)(14)dioxin6yl)9(4methoxybenzylidene)5(4methoxyphenyl)6789tetrahydro5Hthiazolo(23b)quinazoline
COC1=CC=C(C=C1)C=C2CCCC3=C2N=C4N(C3C5=CC=C(C=C5)OC)C(=CS4)C6=CC7=C(C=C6)OCCO7
COc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc3c(c1)OCCO3)C(=Cc1ccc(cc1)OC)CCC2
InChI=1SC33H30N2O4Sc1362511621(71225)18244352731(24)343335(32(27)2281326(372)14922)28(204033)2310152930(1923)3917163829h615182032H351617H212H3b2418+
MFCD03304409
ZINC000102437807
ZINC000102437814
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.