Vitas-M small molecule compound
4-({6-[(5E)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoyl}amino)-2-hydroxybenzoic acid
Catalog ID
STL035487
SMILES O=C(Nc1ccc(c(c1)O)C(=O)O)CCCCCN1C(=S)S/C(=C/c2ccccc2)/C1=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 C23H22N2O5S2 MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O5S2/c26-18-14-16(10-11-17(18)22(29)30)24-20(27)9-5-2-6-12-25-21(28)19(32-23(25)31)13-15-7-3-1-4-8-15/h1,3-4,7-8,10-11,13-14,26H,2,5-6,9,12H2,(H,24,27)(H,29,30)/b19-13+InChIKey
DNCAYABZEZBJTH-CPNJWEJPSA-NSynonyms
4((6((5E)5benzylidene4oxo2thioxo13thiazolidin3yl)hexanoyl)amino)2hydroxybenzoicacid
4(6((5E)5benzylidene4oxo2sulfanylidene13thiazolidin3yl)hexanoylamino)2hydroxybenzoicacid
C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)NC3=CC(=C(C=C3)C(=O)O)O
InChI=1SC23H22N2O5S2c26181416(101117(18)22(29)30)2420(27)9526122521(28)19(3223(25)31)13157314815h134781011131426H256912H2(H2427)(H2930)b1913+
MFCD18191997
O=C(Nc1ccc(c(c1)O)C(=O)O)CCCCCN1C(=S)SC(=Cc2ccccc2)C1=O
ZINC000026779763
ZINC26779763
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