Vitas-M small molecule compound
(2E)-3-(2,5-dimethoxyphenyl)-2-[4-(3-oxo-3H-benzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK805615
SMILES COc1ccc(c(c1)/C=C(/c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1)\C#N)OC
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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 C27H18N2O4S MW 466.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18N2O4S/c1-31-19-8-10-24(32-2)17(12-19)11-18(14-28)26-29-23(15-34-26)22-13-21-20-6-4-3-5-16(20)7-9-25(21)33-27(22)30/h3-13,15H,1-2H3/b18-11+InChIKey
CCLHJBSRJBZUFX-WOJGMQOQSA-NSynonyms
(2E)3(25dimethoxyphenyl)2(4(3oxo3Hbenzo(f)chromen2yl)13thiazol2yl)prop2enenitrile
(E)3(25dimethoxyphenyl)2(4(3oxo3Hbenzo(f)chromen2yl)thiazol2yl)acrylonitrile
(E)3(25DIMETHOXYPHENYL)2(4(3OXOBENZO(F)CHROMEN2YL)13THIAZOL2YL)PROP2ENENITRILE
COC1=CC(=C(C=C1)OC)C=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O
COc1ccc(c(c1)C=C(c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1)C#N)OC
InChI=1SC27H18N2O4Sc1311981024(322)17(1219)1118(1428)262923(153426)22132120643516(20)7925(21)3327(22)30h31315H12H3b1811+
MFCD02241101
ZINC000009057615
ZINC09057615
ZINC9057615
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