Vitas-M small molecule compound
(2E)-2-cyano-3-[4-(hexyloxy)-3-methoxyphenyl]-N-[5-(4-methylbenzyl)-1,3-thiazol-2-yl]prop-2-enamide
Catalog ID
STL021680
SMILES CCCCCCOc1ccc(cc1OC)/C=C(/C(=O)Nc1ncc(s1)Cc1ccc(cc1)C)\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 C28H31N3O3S MW 489.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O3S/c1-4-5-6-7-14-34-25-13-12-22(17-26(25)33-3)15-23(18-29)27(32)31-28-30-19-24(35-28)16-21-10-8-20(2)9-11-21/h8-13,15,17,19H,4-7,14,16H2,1-3H3,(H,30,31,32)/b23-15+InChIKey
HGBABEPYDRDEDB-HZHRSRAPSA-NSynonyms
(2E)2cyano3(4(hexyloxy)3methoxyphenyl)N(5(4methylbenzyl)13thiazol2yl)prop2enamide
(2E)2CYANO3(4HEXYLOXY3METHOXYPHENYL)N(5((4METHYLPHENYL)METHYL)(13THIAZOL2YL))PROP2ENAMIDE
(E)2cyano3(4hexoxy3methoxyphenyl)N(5((4methylphenyl)methyl)13thiazol2yl)prop2enamide
CCCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)C)OC
CCCCCCOc1ccc(cc1OC)C=C(C(=O)Nc1ncc(s1)Cc1ccc(cc1)C)C#N
InChI=1SC28H31N3O3Sc14567143425131222(1726(25)333)1523(1829)27(32)3128301924(3528)162110820(2)91121h813151719H471416H213H3(H303132)b2315+
MFCD02979483
ZINC000008763837
ZINC08763837
ZINC8763837
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