Vitas-M small molecule compound

dimethyl 5-({(Z)-2-cyano-2-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzene-1,3-dicarboxylate

Catalog ID
STK552512
SMILES N#C/C(=C/Nc1cc(cc(c1)C(=O)OC)C(=O)OC)/c1scc(n1)c1cccs1

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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 C20H15N3O4S2 MW 425.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O4S2/c1-26-19(24)12-6-13(20(25)27-2)8-15(7-12)22-10-14(9-21)18-23-16(11-29-18)17-4-3-5-28-17/h3-8,10-11,22H,1-2H3/b14-10-
InChIKey
HAGIOOONWPGKAU-UVTDQMKNSA-N
Synonyms
799768-62-0
(Z)dimethyl5((2cyano2(4(thiophen2yl)thiazol2yl)vinyl)amino)isophthalate
799768620
COC(=O)C1=CC(=CC(=C1)NC=C(C#N)C2=NC(=CS2)C3=CC=CS3)C(=O)OC
dimethyl5(((Z)2cyano2(4(thiophen2yl)13thiazol2yl)ethenyl)amino)benzene13dicarboxylate
DIMETHYL5(((Z)2CYANO2(4THIOPHEN2YL13THIAZOL2YL)ETHENYL)AMINO)BENZENE13DICARBOXYLATE
InChI=1SC20H15N3O4S2c12619(24)12613(20(25)272)815(712)221014(921)182316(112918)174352817h38101122H12H3b1410
MFCD03670797
N#CC(=CNc1cc(cc(c1)C(=O)OC)C(=O)OC)c1scc(n1)c1cccs1
ZINC000002202667
ZINC02202667
ZINC2202667

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Available files

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