Vitas-M small molecule compound
(2Z)-3-(4-ethylphenyl)-2-[4-(3-oxo-3H-benzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STL353002
SMILES CCc1ccc(cc1)/C=C(\c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1)/C#N
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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 C27H18N2O2S MW 434.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18N2O2S/c1-2-17-7-9-18(10-8-17)13-20(15-28)26-29-24(16-32-26)23-14-22-21-6-4-3-5-19(21)11-12-25(22)31-27(23)30/h3-14,16H,2H2,1H3/b20-13-InChIKey
PYQGIIQARQEZNJ-MOSHPQCFSA-NSynonyms
(2Z)3(4ethylphenyl)2(4(3oxo3Hbenzo(f)chromen2yl)13thiazol2yl)prop2enenitrile
(E)3(4ethylphenyl)2(4(3oxo3Hbenzo(f)chromen2yl)thiazol2yl)acrylonitrile
(Z)3(4ETHYLPHENYL)2(4(3OXOBENZO(F)CHROMEN2YL)13THIAZOL2YL)PROP2ENENITRILE
CCC1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O
CCc1ccc(cc1)C=C(c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1)C#N
InChI=1SC27H18N2O2Sc12177918(10817)1320(1528)262924(163226)23142221643519(21)111225(22)3127(23)30h31416H2H21H3b2013
MFCD01464621
ZINC000006821883
ZINC06821883
ZINC6821883
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