Vitas-M small molecule compound
ethyl 4-({(5E)-5-[(2Z)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetyl)piperazine-1-carboxylate
Catalog ID
STK994894
SMILES CCOC(=O)N1CCN(CC1)C(=O)CN1C(=S)S/C(=C/C(=C\c2ccccc2)/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 C22H25N3O4S2 MW 459.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O4S2/c1-3-29-21(28)24-11-9-23(10-12-24)19(26)15-25-20(27)18(31-22(25)30)14-16(2)13-17-7-5-4-6-8-17/h4-8,13-14H,3,9-12,15H2,1-2H3/b16-13-,18-14+InChIKey
OLMRSBXOGHBGMI-ODINJJDSSA-NSynonyms
CCOC(=O)N1CCN(CC1)C(=O)CN1C(=S)SC(=CC(=Cc2ccccc2)C)C1=O
CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)C(=CC(=CC3=CC=CC=C3)C)SC2=S
ethyl4(((5E)5((2Z)2methyl3phenylprop2en1ylidene)4oxo2thioxo13thiazolidin3yl)acetyl)piperazine1carboxylate
ethyl4(2((5E)5((Z)2methyl3phenylprop2enylidene)4oxo2sulfanylidene13thiazolidin3yl)acetyl)piperazine1carboxylate
InChI=1SC22H25N3O4S2c132921(28)2411923(101224)19(26)152520(27)18(3122(25)30)1416(2)13177546817h481314H391215H212H3b16131814+
MFCD06258715
ZINC000032694374
ZINC32694374
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