Vitas-M small molecule compound

hexyl 2-({(E)-2-cyano-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate

Catalog ID
STK536523
SMILES CCCCCCOC(=O)c1ccccc1N/C=C(/c1scc(n1)c1ccc(c(c1)OC)OC)\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 C27H29N3O4S MW 491.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4S/c1-4-5-6-9-14-34-27(31)21-10-7-8-11-22(21)29-17-20(16-28)26-30-23(18-35-26)19-12-13-24(32-2)25(15-19)33-3/h7-8,10-13,15,17-18,29H,4-6,9,14H2,1-3H3/b20-17+
InChIKey
KZYDPKBEIZYKJD-LVZFUZTISA-N
Synonyms
(E)hexyl2((2cyano2(4(34dimethoxyphenyl)thiazol2yl)vinyl)amino)benzoate
CCCCCCOC(=O)C1=CC=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC(=C(C=C3)OC)OC
CCCCCCOC(=O)c1ccccc1NC=C(c1scc(n1)c1ccc(c(c1)OC)OC)C#N
hexyl2(((E)2cyano2(4(34dimethoxyphenyl)13thiazol2yl)ethenyl)amino)benzoate
Registry IDs
MFCD02982509
ZINC000009007477
ZINC09007477
ZINC9007477

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Available files

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