Vitas-M small molecule compound
(2E)-N-(5-benzyl-1,3-thiazol-2-yl)-2-cyano-3-[4-(heptyloxy)phenyl]prop-2-enamide
Catalog ID
STL021644
SMILES CCCCCCCOc1ccc(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 C27H29N3O2S MW 459.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O2S/c1-2-3-4-5-9-16-32-24-14-12-22(13-15-24)17-23(19-28)26(31)30-27-29-20-25(33-27)18-21-10-7-6-8-11-21/h6-8,10-15,17,20H,2-5,9,16,18H2,1H3,(H,29,30,31)/b23-17+InChIKey
DWLOPCCLASTVAD-HAVVHWLPSA-NSynonyms
(2E)2CYANO3(4HEPTYLOXYPHENYL)N(5BENZYL(13THIAZOL2YL))PROP2ENAMIDE
(2E)N(5benzyl13thiazol2yl)2cyano3(4(heptyloxy)phenyl)prop2enamide
(E)N(5benzyl13thiazol2yl)2cyano3(4heptoxyphenyl)prop2enamide
CCCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=CC=C3
CCCCCCCOc1ccc(cc1)C=C(C(=O)Nc1ncc(s1)Cc1ccccc1)C#N
InChI=1SC27H29N3O2Sc123459163224141222(131524)1723(1928)26(31)3027292025(3327)1821107681121h6810151720H2591618H21H3(H293031)b2317+
MFCD02979173
ZINC000100987605
ZINC100987605
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