Vitas-M small molecule compound

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

Catalog ID
STK803921
SMILES CCOC(=O)c1c(N/C=C(\c2scc(n2)c2cccc3c2cccc3)/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 C27H23N3O4S2 MW 517.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O4S2/c1-4-33-26(31)22-16(3)23(27(32)34-5-2)36-25(22)29-14-18(13-28)24-30-21(15-35-24)20-12-8-10-17-9-6-7-11-19(17)20/h6-12,14-15,29H,4-5H2,1-3H3/b18-14-
InChIKey
AKKDLVXDBLXONN-JXAWBTAJSA-N
Synonyms

(E)diethyl5((2cyano2(4(naphthalen1yl)thiazol2yl)vinyl)amino)3methylthiophene24dicarboxylate
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC=C(C#N)C2=NC(=CS2)C3=CC=CC4=CC=CC=C43
CCOC(=O)c1c(NC=C(c2scc(n2)c2cccc3c2cccc3)C#N)sc(c1C)C(=O)OCC
diethyl5(((Z)2cyano2(4(naphthalen1yl)13thiazol2yl)ethenyl)amino)3methylthiophene24dicarboxylate
DIETHYL5(((Z)2CYANO2(4NAPHTHALEN1YL13THIAZOL2YL)ETHENYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
InChI=1SC27H23N3O4S2c143326(31)2216(3)23(27(32)3452)3625(22)291418(1328)243021(153524)2012810179671119(17)20h612141529H45H213H3b1814
MFCD18169516
ZINC000009424725
ZINC9424725

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Available files

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