Vitas-M small molecule compound

ethyl (2Z)-[3-(4-bromophenyl)-5-(2-methylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene](cyano)ethanoate

Catalog ID
STL022153
SMILES CCOC(=O)/C(=C/1\SC(C(=O)N1c1ccc(cc1)Br)Cc1ccccc1C)/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 C22H19BrN2O3S MW 471.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN2O3S/c1-3-28-22(27)18(13-24)21-25(17-10-8-16(23)9-11-17)20(26)19(29-21)12-15-7-5-4-6-14(15)2/h4-11,19H,3,12H2,1-2H3/b21-18-
InChIKey
NEONALXJMRCECY-UZYVYHOESA-N
Synonyms
786679-70-7
786679707
CCOC(=O)C(=C1N(C(=O)C(S1)CC2=CC=CC=C2C)C3=CC=C(C=C3)Br)C#N
CCOC(=O)C(=C1SC(C(=O)N1c1ccc(cc1)Br)Cc1ccccc1C)C#N
ethyl(2Z)(3(4bromophenyl)5(2methylbenzyl)4oxo13thiazolidin2ylidene)(cyano)ethanoate
ethyl(2Z)2(3(4bromophenyl)5((2methylphenyl)methyl)4oxo13thiazolidin2ylidene)2cyanoacetate
ETHYL2(3(4BROMOPHENYL)5((2METHYLPHENYL)METHYL)4OXO(13THIAZOLIDIN2YLIDENE))2CYANOACETATE
InChI=1SC22H19BrN2O3Sc132822(27)18(1324)2125(1710816(23)91117)20(26)19(2921)1215754614(15)2h41119H312H212H3b2118
MFCD06640910
ZINC000009909991
ZINC000009909993

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Available files

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