Vitas-M small molecule compound

ethyl 4-({(2Z)-2-cyano-2-[5-(2,3-dichlorobenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetyl}amino)benzoate

Catalog ID
STL069922
SMILES CCOC(=O)c1ccc(cc1)NC(=O)/C(=C/1\SC(C(=O)N1c1ccccc1)Cc1cccc(c1Cl)Cl)/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 C28H21Cl2N3O4S MW 566.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21Cl2N3O4S/c1-2-37-28(36)17-11-13-19(14-12-17)32-25(34)21(16-31)27-33(20-8-4-3-5-9-20)26(35)23(38-27)15-18-7-6-10-22(29)24(18)30/h3-14,23H,2,15H2,1H3,(H,32,34)/b27-21-
InChIKey
ZGOSOKSXNUFIOM-MEFGMAGPSA-N
Synonyms

(Z)ethyl4(2cyano2(5(23dichlorobenzyl)4oxo3phenylthiazolidin2ylidene)acetamido)benzoate
CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=C2N(C(=O)C(S2)CC3=C(C(=CC=C3)Cl)Cl)C4=CC=CC=C4)C#N
CCOC(=O)c1ccc(cc1)NC(=O)C(=C1SC(C(=O)N1c1ccccc1)Cc1cccc(c1Cl)Cl)C#N
ETHYL4(((2Z)2CYANO2(5((23DICHLOROPHENYL)METHYL)4OXO3PHENYL13THIAZOLIDIN2YLIDENE)ACETYL)AMINO)BENZOATE
ethyl4(((2Z)2cyano2(5(23dichlorobenzyl)4oxo3phenyl13thiazolidin2ylidene)acetyl)amino)benzoate
ETHYL4(2(5((23DICHLOROPHENYL)METHYL)4OXO3PHENYL(13THIAZOLIDIN2YLIDENE))2CYANOACETYLAMINO)BENZOATE
InChI=1SC28H21Cl2N3O4Sc123728(36)17111319(141217)3225(34)21(1631)2733(208435920)26(35)23(3827)1518761022(29)24(18)30h31423H215H21H3(H3234)b2721
MFCD03291977
ZINC000097968946
ZINC000097968947

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Available files

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