Vitas-M small molecule compound
(5E)-3-benzyl-5-{3-ethoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL380257
SMILES CCOc1cc(ccc1OCc1ccccc1[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)Cc1ccccc1
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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 C26H22N2O5S2 MW 506.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O5S2/c1-2-32-23-14-19(12-13-22(23)33-17-20-10-6-7-11-21(20)28(30)31)15-24-25(29)27(26(34)35-24)16-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3/b24-15+InChIKey
WUMVKKBUGZTOBV-BUVRLJJBSA-NSynonyms
(5E)3benzyl5((3ethoxy4((2nitrophenyl)methoxy)phenyl)methylidene)2sulfanylidene13thiazolidin4one
(5E)3benzyl5(3ethoxy4((2nitrobenzyl)oxy)benzylidene)2thioxo13thiazolidin4one
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3)OCC4=CC=CC=C4(N+)(=O)(O)
CCOc1cc(ccc1OCc1ccccc1(N+)(=O)(O))C=C1SC(=S)N(C1=O)Cc1ccccc1
InChI=1SC26H22N2O5S2c1232231419(121322(23)33172010671121(20)28(30)31)152425(29)27(26(34)3524)16188435918h315H21617H21H3b2415+
MFCD09475953
ZINC000009294960
ZINC09294960
ZINC9294960
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