Vitas-M small molecule compound
(2E)-2-cyano-N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]-3-[4-(heptyloxy)phenyl]prop-2-enamide
Catalog ID
STL017019
SMILES CCCCCCCOc1ccc(cc1)/C=C(/C(=O)Nc1ncc(s1)Cc1ccc(cc1)F)\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 C27H28FN3O2S MW 477.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28FN3O2S/c1-2-3-4-5-6-15-33-24-13-9-20(10-14-24)16-22(18-29)26(32)31-27-30-19-25(34-27)17-21-7-11-23(28)12-8-21/h7-14,16,19H,2-6,15,17H2,1H3,(H,30,31,32)/b22-16+InChIKey
YZGUNJXSOKVMID-CJLVFECKSA-NSynonyms
(2E)2CYANON(5((4FLUOROPHENYL)METHYL)(13THIAZOL2YL))3(4HEPTYLOXYPHENYL)PROP2ENAMIDE
(2E)2cyanoN(5(4fluorobenzyl)13thiazol2yl)3(4(heptyloxy)phenyl)prop2enamide
(E)2CYANON(5((4FLUOROPHENYL)METHYL)13THIAZOL2YL)3(4HEPTOXYPHENYL)PROP2ENAMIDE
CCCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)F
CCCCCCCOc1ccc(cc1)C=C(C(=O)Nc1ncc(s1)Cc1ccc(cc1)F)C#N
InChI=1SC27H28FN3O2Sc12345615332413920(101424)1622(1829)26(32)3127301925(3427)172171123(28)12821h7141619H261517H21H3(H303132)b2216+
MFCD02979303
ZINC000100879095
ZINC100879095
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