Vitas-M small molecule compound
4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenyl 4-methoxybenzoate
Catalog ID
STL383515
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)OC)/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 C26H20N2O4S MW 456.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O4S/c1-3-31-23-15-17(14-19(16-27)25-28-21-6-4-5-7-24(21)33-25)8-13-22(23)32-26(29)18-9-11-20(30-2)12-10-18/h4-15H,3H2,1-2H3/b19-14+InChIKey
RWFUTTYMJNWVAS-XMHGGMMESA-NSynonyms
(4((E)2(13BENZOTHIAZOL2YL)2CYANOETHENYL)2ETHOXYPHENYL)4METHOXYBENZOATE
4((E)2(13benzothiazol2yl)2cyanoethenyl)2ethoxyphenyl4methoxybenzoate
CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)OC(=O)C4=CC=C(C=C4)OC
CCOc1cc(ccc1OC(=O)c1ccc(cc1)OC)C=C(c1nc2c(s1)cccc2)C#N
InChI=1SC26H20N2O4Sc1331231517(1419(1627)252821645724(21)3325)81322(23)3226(29)1891120(302)121018h415H3H212H3b1914+
MFCD03478414
ZINC000012590778
ZINC12590778
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