Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}prop-2-enenitrile
Catalog ID
STL383504
SMILES CCOc1cc(ccc1OCc1ccc(cc1)F)/C=C(/c1nc2c(s1)cccc2)\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 C25H19FN2O2S MW 430.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19FN2O2S/c1-2-29-23-14-18(9-12-22(23)30-16-17-7-10-20(26)11-8-17)13-19(15-27)25-28-21-5-3-4-6-24(21)31-25/h3-14H,2,16H2,1H3/b19-13+InChIKey
DNYAPOCYOQVERJ-CPNJWEJPSA-NSynonyms
(2E)2(13benzothiazol2yl)3(3ethoxy4((4fluorobenzyl)oxy)phenyl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YL)3(3ETHOXY4((4FLUOROPHENYL)METHOXY)PHENYL)PROP2ENENITRILE
CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)OCC4=CC=C(C=C4)F
CCOc1cc(ccc1OCc1ccc(cc1)F)C=C(c1nc2c(s1)cccc2)C#N
InChI=1SC25H19FN2O2Sc1229231418(91222(23)30161771020(26)11817)1319(1527)252821534624(21)3125h314H216H21H3b1913+
MFCD03478412
ZINC000012590772
ZINC12590772
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