Vitas-M small molecule compound
2-{(5E)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-N-[3-(morpholin-4-yl)propyl]acetamide
Catalog ID
STL035834
SMILES O=C(CN1C(=S)S/C(=C/C(=C/c2ccccc2)/C)/C1=O)NCCCN1CCOCC1
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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 C22H27N3O3S2 MW 445.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O3S2/c1-17(14-18-6-3-2-4-7-18)15-19-21(27)25(22(29)30-19)16-20(26)23-8-5-9-24-10-12-28-13-11-24/h2-4,6-7,14-15H,5,8-13,16H2,1H3,(H,23,26)/b17-14+,19-15+InChIKey
BBUROKYFXIEWDB-GVMPNVMCSA-NSynonyms
2((5E)5((2E)2methyl3phenylprop2en1ylidene)4oxo2thioxo13thiazolidin3yl)N(3(morpholin4yl)propyl)acetamide
2((5E)5((E)2METHYL3PHENYLPROP2ENYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)N(3MORPHOLIN4YLPROPYL)ACETAMIDE
CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)CC(=O)NCCCN3CCOCC3
InChI=1SC22H27N3O3S2c117(14186324718)151921(27)25(22(29)3019)1620(26)2385924101228131124h24671415H581316H21H3(H2326)b1714+1915+
MFCD18192168
O=C(CN1C(=S)SC(=CC(=Cc2ccccc2)C)C1=O)NCCCN1CCOCC1
ZINC000027530472
ZINC27530472
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