Vitas-M small molecule compound
(2E)-N-(5-benzyl-1,3-thiazol-2-yl)-2-cyano-3-[4-(octyloxy)phenyl]prop-2-enamide
Catalog ID
STL021645
SMILES CCCCCCCCOc1ccc(cc1)/C=C(/C(=O)Nc1ncc(s1)Cc1ccccc1)\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 C28H31N3O2S MW 473.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O2S/c1-2-3-4-5-6-10-17-33-25-15-13-23(14-16-25)18-24(20-29)27(32)31-28-30-21-26(34-28)19-22-11-8-7-9-12-22/h7-9,11-16,18,21H,2-6,10,17,19H2,1H3,(H,30,31,32)/b24-18+InChIKey
KJZSMISUUIIOIM-HKOYGPOVSA-NSynonyms
(2E)2CYANO3(4OCTYLOXYPHENYL)N(5BENZYL(13THIAZOL2YL))PROP2ENAMIDE
(2E)N(5benzyl13thiazol2yl)2cyano3(4(octyloxy)phenyl)prop2enamide
(E)N(5benzyl13thiazol2yl)2cyano3(4octoxyphenyl)prop2enamide
CCCCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=CC=C3
CCCCCCCCOc1ccc(cc1)C=C(C(=O)Nc1ncc(s1)Cc1ccccc1)C#N
InChI=1SC28H31N3O2Sc12345610173325151323(141625)1824(2029)27(32)3128302126(3428)1922118791222h7911161821H26101719H21H3(H303132)b2418+
MFCD02979174
ZINC000100987611
ZINC100987611
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