Vitas-M small molecule compound
4-methyl-2-{(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanoic acid
Catalog ID
STL231469
SMILES CC(CC(N1C(=S)S/C(=C\C(=C\c2ccccc2)\C)/C1=O)C(=O)O)C
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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 C19H21NO3S2 MW 375.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21NO3S2/c1-12(2)9-15(18(22)23)20-17(21)16(25-19(20)24)11-13(3)10-14-7-5-4-6-8-14/h4-8,10-12,15H,9H2,1-3H3,(H,22,23)/b13-10+,16-11-InChIKey
XJFJSBILOPBQJB-VKDWSQHSSA-NSynonyms
4methyl2((5Z)5((2E)2methyl3phenylprop2en1ylidene)4oxo2thioxo13thiazolidin3yl)pentanoicacid
4methyl2((5Z)5((E)2methyl3phenylprop2enylidene)4oxo2sulfanylidene13thiazolidin3yl)pentanoicacid
CC(C)CC(C(=O)O)N1C(=O)C(=CC(=CC2=CC=CC=C2)C)SC1=S
CC(CC(N1C(=S)SC(=CC(=Cc2ccccc2)C)C1=O)C(=O)O)C
InChI=1SC19H21NO3S2c112(2)915(18(22)23)2017(21)16(2519(20)24)1113(3)10147546814h48101215H9H213H3(H2223)b1310+1611
MFCD07500115
ZINC000016935129
ZINC000016935132
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