Vitas-M small molecule compound

diethyl 5-({(Z)-2-cyano-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethenyl}amino)-3-methylthiophene-2,4-dicarboxylate

Catalog ID
STK803915
SMILES CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc(cc2)CC)/C#N)sc(c1C)C(=O)OCC

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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 C25H25N3O4S2 MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4S2/c1-5-16-8-10-17(11-9-16)19-14-33-22(28-19)18(12-26)13-27-23-20(24(29)31-6-2)15(4)21(34-23)25(30)32-7-3/h8-11,13-14,27H,5-7H2,1-4H3/b18-13-
InChIKey
MDAHZTLTKKEBFL-AQTBWJFISA-N
Synonyms
840515-38-0
(Z)diethyl5((2cyano2(4(4ethylphenyl)thiazol2yl)vinyl)amino)3methylthiophene24dicarboxylate
840515380
CCC1=CC=C(C=C1)C2=CSC(=N2)C(=CNC3=C(C(=C(S3)C(=O)OCC)C)C(=O)OCC)C#N
CCOC(=O)c1c(NC=C(c2scc(n2)c2ccc(cc2)CC)C#N)sc(c1C)C(=O)OCC
diethyl5(((Z)2cyano2(4(4ethylphenyl)13thiazol2yl)ethenyl)amino)3methylthiophene24dicarboxylate
InChI=1SC25H25N3O4S2c151681017(11916)19143322(2819)18(1226)13272320(24(29)3162)15(4)21(3423)25(30)3273h811131427H57H214H3b1813
MFCD04010281
ZINC000009452351
ZINC09452351
ZINC9452351

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Available files

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