Vitas-M small molecule compound
(2E)-2-cyano-N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]-3-[4-(octyloxy)phenyl]prop-2-enamide
Catalog ID
STK949853
SMILES CCCCCCCCOc1ccc(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 C28H30FN3O2S MW 491.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30FN3O2S/c1-2-3-4-5-6-7-16-34-25-14-10-21(11-15-25)17-23(19-30)27(33)32-28-31-20-26(35-28)18-22-8-12-24(29)13-9-22/h8-15,17,20H,2-7,16,18H2,1H3,(H,31,32,33)/b23-17+InChIKey
PKCXPMYVPDMFLU-HAVVHWLPSA-NSynonyms
(2E)2CYANON(5((4FLUOROPHENYL)METHYL)(13THIAZOL2YL))3(4OCTYLOXYPHENYL)PROP2ENAMIDE
(2E)2cyanoN(5(4fluorobenzyl)13thiazol2yl)3(4(octyloxy)phenyl)prop2enamide
(E)2CYANON(5((4FLUOROPHENYL)METHYL)13THIAZOL2YL)3(4OCTOXYPHENYL)PROP2ENAMIDE
CCCCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)F
CCCCCCCCOc1ccc(cc1)C=C(C(=O)Nc1ncc(s1)Cc1ccc(cc1)F)C#N
InChI=1SC28H30FN3O2Sc1234567163425141021(111525)1723(1930)27(33)3228312026(3528)182281224(29)13922h8151720H271618H21H3(H313233)b2317+
MFCD02333525
ZINC000100877463
ZINC100877463
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