Vitas-M small molecule compound
[(5E)-5-{4-[(2,4-dichlorobenzyl)oxy]-3-methoxybenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK016854
SMILES COc1cc(ccc1OCc1ccc(cc1Cl)Cl)/C=C\1/SC(=S)N(C1=O)CC(=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 C20H15Cl2NO5S2 MW 484.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15Cl2NO5S2/c1-27-16-6-11(7-17-19(26)23(9-18(24)25)20(29)30-17)2-5-15(16)28-10-12-3-4-13(21)8-14(12)22/h2-8H,9-10H2,1H3,(H,24,25)/b17-7+InChIKey
NXHSQRIFTFWKFQ-REZTVBANSA-NSynonyms
((5E)5(4((24DICHLOROBENZYL)OXY)3METHOXYBENZYLIDENE)4OXO2THIOXO13THIAZOLIDIN3YL)ACETICACID
2((5E)5((4((24dichlorophenyl)methoxy)3methoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)OCC3=C(C=C(C=C3)Cl)Cl
COc1cc(ccc1OCc1ccc(cc1Cl)Cl)C=C1SC(=S)N(C1=O)CC(=O)O
InChI=1SC20H15Cl2NO5S2c12716611(71719(26)23(918(24)25)20(29)3017)2515(16)2810123413(21)814(12)22h28H910H21H3(H2425)b177+
MFCD01469324
STK016854
ZINC000000974630
ZINC974630
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