Vitas-M small molecule compound
2-{(5E)-4-oxo-5-[2-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}pentanedioic acid
Catalog ID
STL035769
SMILES C=CCOc1ccccc1/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 C18H17NO6S2 MW 407.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO6S2/c1-2-9-25-13-6-4-3-5-11(13)10-14-16(22)19(18(26)27-14)12(17(23)24)7-8-15(20)21/h2-6,10,12H,1,7-9H2,(H,20,21)(H,23,24)/b14-10+InChIKey
XBQJAMZZRXJCPM-GXDHUFHOSA-NSynonyms
2((5E)4oxo5((2prop2enoxyphenyl)methylidene)2sulfanylidene13thiazolidin3yl)pentanedioicacid
2((5E)4oxo5(2(prop2en1yloxy)benzylidene)2thioxo13thiazolidin3yl)pentanedioicacid
C=CCOC1=CC=CC=C1C=C2C(=O)N(C(=S)S2)C(CCC(=O)O)C(=O)O
C=CCOc1ccccc1C=C1SC(=S)N(C1=O)C(C(=O)O)CCC(=O)O
InChI=1SC18H17NO6S2c1292513643511(13)101416(22)19(18(26)2714)12(17(23)24)7815(20)21h261012H179H2(H2021)(H2324)b1410+
MFCD18192152
ZINC000006856095
ZINC000006856101
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