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}pentanedioic acid
Catalog ID
STK995184
SMILES C/C(=C\c1ccccc1)/C=C\1/SC(=S)N(C1=O)C(C(=O)O)CCC(=O)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 C18H17NO5S2 MW 391.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO5S2/c1-11(9-12-5-3-2-4-6-12)10-14-16(22)19(18(25)26-14)13(17(23)24)7-8-15(20)21/h2-6,9-10,13H,7-8H2,1H3,(H,20,21)(H,23,24)/b11-9+,14-10+InChIKey
LWJQYUFJHQPXNZ-LRGIMLIUSA-NSynonyms
2((5E)5((2E)2methyl3phenylprop2en1ylidene)4oxo2thioxo13thiazolidin3yl)pentanedioicacid
2((5E)5((E)2METHYL3PHENYLPROP2ENYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PENTANEDIOICACID
2((Z)5((E)2methyl3phenylallylidene)4oxo2thioxothiazolidin3yl)pentanedioicacid
CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)C(CCC(=O)O)C(=O)O
CC(=Cc1ccccc1)C=C1SC(=S)N(C1=O)C(C(=O)O)CCC(=O)O
InChI=1SC18H17NO5S2c111(9125324612)101416(22)19(18(25)2614)13(17(23)24)7815(20)21h2691013H78H21H3(H2021)(H2324)b119+1410+
MFCD18185133
ZINC000002433626
ZINC000027229164
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