Vitas-M small molecule compound
[(5E)-5-{3-ethoxy-4-[2-(morpholin-4-yl)-2-oxoethoxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK337195
SMILES CCOc1cc(ccc1OCC(=O)N1CCOCC1)/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 C20H22N2O7S2 MW 466.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O7S2/c1-2-28-15-9-13(10-16-19(26)22(11-18(24)25)20(30)31-16)3-4-14(15)29-12-17(23)21-5-7-27-8-6-21/h3-4,9-10H,2,5-8,11-12H2,1H3,(H,24,25)/b16-10+InChIKey
ZZNXQNWVBIHOCO-MHWRWJLKSA-NSynonyms
((5E)5(3ETHOXY4(2(MORPHOLIN4YL)2OXOETHOXY)BENZYLIDENE)4OXO2THIOXO13THIAZOLIDIN3YL)ACETICACID
2((5E)5((3ethoxy4(2morpholin4yl2oxoethoxy)phenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)OCC(=O)N3CCOCC3
CCOc1cc(ccc1OCC(=O)N1CCOCC1)C=C1SC(=S)N(C1=O)CC(=O)O
InChI=1SC20H22N2O7S2c122815913(101619(26)22(1118(24)25)20(30)3116)3414(15)291217(23)2157278621h34910H2581112H21H3(H2425)b1610+
MFCD05149689
ZINC000009233795
ZINC9233795
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