Vitas-M small molecule compound
2-{(5E)-5-[(2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanedioic acid
Catalog ID
STL035774
SMILES Cl/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 C17H14ClNO5S2 MW 411.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClNO5S2/c18-11(8-10-4-2-1-3-5-10)9-13-15(22)19(17(25)26-13)12(16(23)24)6-7-14(20)21/h1-5,8-9,12H,6-7H2,(H,20,21)(H,23,24)/b11-8-,13-9+InChIKey
BNCGAKWUQJEJFG-ZXXZFBTCSA-NSynonyms
2((5E)5((2Z)2chloro3phenylprop2en1ylidene)4oxo2thioxo13thiazolidin3yl)pentanedioicacid
2((5E)5((Z)2chloro3phenylprop2enylidene)4oxo2sulfanylidene13thiazolidin3yl)pentanedioicacid
C1=CC=C(C=C1)C=C(C=C2C(=O)N(C(=S)S2)C(CCC(=O)O)C(=O)O)Cl
ClC(=Cc1ccccc1)C=C1SC(=S)N(C1=O)C(C(=O)O)CCC(=O)O
InChI=1SC17H14ClNO5S2c1811(8104213510)91315(22)19(17(25)2613)12(16(23)24)6714(20)21h158912H67H2(H2021)(H2324)b118139+
MFCD18192156
ZINC000102828494
ZINC000102828496
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