Vitas-M small molecule compound

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

Catalog ID
STK803947
SMILES C=CCOC(=O)c1sc(c(c1C)C(=O)OCC)N/C=C(\c1scc(n1)c1ccc2c(c1)cccc2)/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 C28H23N3O4S2 MW 529.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O4S2/c1-4-12-35-28(33)24-17(3)23(27(32)34-5-2)26(37-24)30-15-21(14-29)25-31-22(16-36-25)20-11-10-18-8-6-7-9-19(18)13-20/h4,6-11,13,15-16,30H,1,5,12H2,2-3H3/b21-15-
InChIKey
SWAURLXAKVYZOP-QNGOZBTKSA-N
Synonyms
587013-31-8
(Z)2allyl4ethyl5((2cyano2(4(naphthalen2yl)thiazol2yl)vinyl)amino)3methylthiophene24dicarboxylate
4ethyl2prop2en1yl5(((Z)2cyano2(4(naphthalen2yl)13thiazol2yl)ethenyl)amino)3methylthiophene24dicarboxylate
4OETHYL2OPROP2ENYL5(((Z)2CYANO2(4NAPHTHALEN2YL13THIAZOL2YL)ETHENYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
587013318
C=CCOC(=O)c1sc(c(c1C)C(=O)OCC)NC=C(c1scc(n1)c1ccc2c(c1)cccc2)C#N
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4C=C3
InChI=1SC28H23N3O4S2c14123528(33)2417(3)23(27(32)3452)26(3724)301521(1429)253122(163625)20111018867919(18)1320h461113151630H1512H223H3b2115
MFCD04033874
ZINC000101089939
ZINC101089939

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Available files

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