Vitas-M small molecule compound
[(5Z)-5-{3-ethoxy-4-[(2-fluorobenzyl)oxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STL428351
SMILES CCOc1cc(ccc1OCc1ccccc1F)/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 C21H18FNO5S2 MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FNO5S2/c1-2-27-17-9-13(10-18-20(26)23(11-19(24)25)21(29)30-18)7-8-16(17)28-12-14-5-3-4-6-15(14)22/h3-10H,2,11-12H2,1H3,(H,24,25)/b18-10-InChIKey
GBMINMYPBGHZFG-ZDLGFXPLSA-NSynonyms
((5Z)5(3ethoxy4((2fluorobenzyl)oxy)benzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5Z)5((3ETHOXY4((2FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)OCC3=CC=CC=C3F
CCOc1cc(ccc1OCc1ccccc1F)C=C1SC(=S)N(C1=O)CC(=O)O
InChI=1SC21H18FNO5S2c122717913(101820(26)23(1119(24)25)21(29)3018)7816(17)281214534615(14)22h310H21112H21H3(H2425)b1810
MFCD30710590
ZINC000040006430
ZINC40006430
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