Vitas-M small molecule compound
(2E)-3-(4-butoxy-3-methoxyphenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STL021408
SMILES CCCCOc1ccc(cc1OC)/C=C(/c1scc(n1)c1cc2ccccc2oc1=O)\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 C26H22N2O4S MW 458.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O4S/c1-3-4-11-31-23-10-9-17(13-24(23)30-2)12-19(15-27)25-28-21(16-33-25)20-14-18-7-5-6-8-22(18)32-26(20)29/h5-10,12-14,16H,3-4,11H2,1-2H3/b19-12+InChIKey
KHTDBRQKEIUNOF-XDHOZWIPSA-NSynonyms
(2E)3(4butoxy3methoxyphenyl)2(4(2oxo2Hchromen3yl)13thiazol2yl)prop2enenitrile
(2E)3(4BUTOXY3METHOXYPHENYL)2(4(2OXOCHROMEN3YL)(13THIAZOL2YL))PROP2ENENITRILE
(E)3(4BUTOXY3METHOXYPHENYL)2(4(2OXOCHROMEN3YL)13THIAZOL2YL)PROP2ENENITRILE
CCCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O)OC
CCCCOc1ccc(cc1OC)C=C(c1scc(n1)c1cc2ccccc2oc1=O)C#N
InChI=1SC26H22N2O4Sc13411312310917(1324(23)302)1219(1527)252821(163325)201418756822(18)3226(20)29h510121416H3411H212H3b1912+
MFCD05992604
ZINC000008763608
ZINC08763608
ZINC8763608
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