Vitas-M small molecule compound
hexyl 2-{[(E)-2-cyano-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}ethenyl]amino}benzoate
Catalog ID
STK536178
SMILES CCCCCCOC(=O)c1ccccc1N/C=C(/c1scc(n1)c1ccc(cc1)CC(C)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 C29H33N3O2S MW 487.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O2S/c1-4-5-6-9-16-34-29(33)25-10-7-8-11-26(25)31-19-24(18-30)28-32-27(20-35-28)23-14-12-22(13-15-23)17-21(2)3/h7-8,10-15,19-21,31H,4-6,9,16-17H2,1-3H3/b24-19+InChIKey
NHNFHUBVCYGGHT-LYBHJNIJSA-NSynonyms
(E)hexyl2((2cyano2(4(4isobutylphenyl)thiazol2yl)vinyl)amino)benzoate
CCCCCCOC(=O)C1=CC=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)CC(C)C
CCCCCCOC(=O)c1ccccc1NC=C(c1scc(n1)c1ccc(cc1)CC(C)C)C#N
hexyl2(((E)2cyano2(4(4(2methylpropyl)phenyl)13thiazol2yl)ethenyl)amino)benzoate
InChI=1SC29H33N3O2Sc14569163429(33)2510781126(25)311924(1830)283227(203528)23141222(131523)1721(2)3h781015192131H4691617H213H3b2419+
MFCD02983394
ZINC000008927609
ZINC08927609
ZINC8927609
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