Vitas-M small molecule compound
(10E)-7-(2,3-dimethoxyphenyl)-10-[(5-methylfuran-2-yl)methylidene]-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK796650
SMILES COc1cccc(c1OC)C1C2=C(N=c3n1c(=O)/c(=C\c1ccc(o1)C)/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 C28H24N2O4S MW 484.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O4S/c1-16-11-13-18(34-16)15-23-27(31)30-25(21-9-6-10-22(32-2)26(21)33-3)20-14-12-17-7-4-5-8-19(17)24(20)29-28(30)35-23/h4-11,13,15,25H,12,14H2,1-3H3/b23-15+InChIKey
SDFRUNAVCGPPJN-HZHRSRAPSA-NSynonyms
(10E)7(23dimethoxyphenyl)10((5methylfuran2yl)methylidene)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)7(23dimethoxyphenyl)10((5methylfuran2yl)methylene)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
CC1=CC=C(O1)C=C2C(=O)N3C(C4=C(C5=CC=CC=C5CC4)N=C3S2)C6=C(C(=CC=C6)OC)OC
COc1cccc(c1OC)C1C2=C(N=c3n1c(=O)c(=Cc1ccc(o1)C)s3)c1c(CC2)cccc1
InChI=1SC28H24N2O4Sc116111318(3416)152327(31)3025(21961022(322)26(21)333)20141217745819(17)24(20)2928(30)3523h411131525H1214H213H3b2315+
MFCD04083044
ZINC000001411793
ZINC000001411795
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