Vitas-M small molecule compound
ethyl (1-{3-[(5Z)-5-(4-tert-butylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}-3-oxopiperazin-2-yl)acetate
Catalog ID
STK823375
SMILES CCOC(=O)CC1C(=O)NCCN1C(=O)CCN1C(=S)S/C(=C\c2ccc(cc2)C(C)(C)C)/C1=O
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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 C25H31N3O5S2 MW 517.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O5S2/c1-5-33-21(30)15-18-22(31)26-11-13-27(18)20(29)10-12-28-23(32)19(35-24(28)34)14-16-6-8-17(9-7-16)25(2,3)4/h6-9,14,18H,5,10-13,15H2,1-4H3,(H,26,31)/b19-14-InChIKey
LIIHHEMXBMCJSL-RGEXLXHISA-NSynonyms
CCOC(=O)CC1C(=O)NCCN1C(=O)CCN1C(=S)SC(=Cc2ccc(cc2)C(C)(C)C)C1=O
CCOC(=O)CC1C(=O)NCCN1C(=O)CCN2C(=O)C(=CC3=CC=C(C=C3)C(C)(C)C)SC2=S
ethyl(1(3((5Z)5(4tertbutylbenzylidene)4oxo2thioxo13thiazolidin3yl)propanoyl)3oxopiperazin2yl)acetate
ethyl2(1(3((5Z)5((4tertbutylphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)propanoyl)3oxopiperazin2yl)acetate
InChI=1SC25H31N3O5S2c153321(30)151822(31)26111327(18)20(29)10122823(32)19(3524(28)34)14166817(9716)25(23)4h691418H5101315H214H3(H2631)b1914
MFCD03463899
ZINC000026688785
ZINC000026688791
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