Vitas-M small molecule compound

methyl (2E)-[(2Z)-2-{1-cyano-2-oxo-2-[(2-phenylethyl)amino]ethylidene}-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-5-ylidene]ethanoate

Catalog ID
STL016517
SMILES N#C/C(=c\1/s/c(=C/C(=O)OC)/c(=O)n1c1ccc(cc1)C)/C(=O)NCCc1ccccc1

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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 C24H21N3O4S MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O4S/c1-16-8-10-18(11-9-16)27-23(30)20(14-21(28)31-2)32-24(27)19(15-25)22(29)26-13-12-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,26,29)/b20-14+,24-19-
InChIKey
MNSXDJKNANGPME-ZXFNSSOYSA-N
Synonyms

(E)methyl2((E)2(1cyano2oxo2(phenethylamino)ethylidene)4oxo3(ptolyl)thiazolidin5ylidene)acetate
CC1=CC=C(C=C1)N2C(=O)C(=CC(=O)OC)SC2=C(C#N)C(=O)NCCC3=CC=CC=C3
InChI=1SC24H21N3O4Sc11681018(11916)2723(30)20(1421(28)312)3224(27)19(1525)22(29)261312176435717h31114H1213H212H3(H2629)b2014+2419
methyl(2E)((2Z)2(1cyano2oxo2((2phenylethyl)amino)ethylidene)3(4methylphenyl)4oxo13thiazolidin5ylidene)ethanoate
methyl(2E)2((2Z)2(1cyano2oxo2(2phenylethylamino)ethylidene)3(4methylphenyl)4oxo13thiazolidin5ylidene)acetate
METHYL(2E)2((2Z)2(1CYANO2OXO2(PHENETHYLAMINO)ETHYLIDENE)3(4METHYLPHENYL)4OXO13THIAZOLIDIN5YLIDENE)ACETATE
METHYL2(2(CYANO(N(2PHENYLETHYL)CARBAMOYL)METHYLENE)3(4METHYLPHENYL)4OXO13THIAZOLIDIN5YLIDENE)ACETATE
MFCD06438442
N#CC(=c1sc(=CC(=O)OC)c(=O)n1c1ccc(cc1)C)C(=O)NCCc1ccccc1
ZINC000100989008
ZINC100989008

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Available files

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