Vitas-M small molecule compound

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

Catalog ID
STK878519
SMILES CCCOC(=O)c1ccc(cc1)N/C=C(/c1scc(n1)c1ccc(cc1)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 C23H21N3O3S MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O3S/c1-3-12-29-23(27)17-4-8-19(9-5-17)25-14-18(13-24)22-26-21(15-30-22)16-6-10-20(28-2)11-7-16/h4-11,14-15,25H,3,12H2,1-2H3/b18-14+
InChIKey
WWXNPGYZGLSXDC-NBVRZTHBSA-N
Synonyms
1021251-03-5
1021251035
CCCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)OC
CCCOC(=O)c1ccc(cc1)NC=C(c1scc(n1)c1ccc(cc1)OC)C#N
InChI=1SC23H21N3O3Sc13122923(27)174819(9517)251418(1324)222621(153022)1661020(282)11716h411141525H312H212H3b1814+
MFCD11992874
propyl4(((E)2cyano2(4(4methoxyphenyl)13thiazol2yl)ethenyl)amino)benzoate
ZINC000017286323
ZINC17286323

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.