Vitas-M small molecule compound

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

Catalog ID
STK878467
SMILES COc1ccc(cc1)c1csc(n1)/C(=C/Nc1ccc(cc1)C(=O)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 C21H17N3O3S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O3S/c1-26-18-9-5-14(6-10-18)19-13-28-20(24-19)16(11-22)12-23-17-7-3-15(4-8-17)21(25)27-2/h3-10,12-13,23H,1-2H3/b16-12+
InChIKey
PCXSRFMHQKUGAB-FOWTUZBSSA-N
Synonyms
1021263-19-3
1021263193
COC1=CC=C(C=C1)C2=CSC(=N2)C(=CNC3=CC=C(C=C3)C(=O)OC)C#N
COc1ccc(cc1)c1csc(n1)C(=CNc1ccc(cc1)C(=O)OC)C#N
InChI=1SC21H17N3O3Sc126189514(61018)19132820(2419)16(1122)1223177315(4817)21(25)272h310121323H12H3b1612+
methyl4(((E)2cyano2(4(4methoxyphenyl)13thiazol2yl)ethenyl)amino)benzoate
MFCD11992851
ZINC000016954786
ZINC16954786

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Available files

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