Vitas-M small molecule compound
3-({3-[(5E)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)benzoic acid
Catalog ID
STL035901
SMILES O=C(Nc1cccc(c1)C(=O)O)CCN1C(=S)S/C(=C/c2ccccc2F)/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 C20H15FN2O4S2 MW 430.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15FN2O4S2/c21-15-7-2-1-4-12(15)11-16-18(25)23(20(28)29-16)9-8-17(24)22-14-6-3-5-13(10-14)19(26)27/h1-7,10-11H,8-9H2,(H,22,24)(H,26,27)/b16-11+InChIKey
OFQCANPUZHUTIP-LFIBNONCSA-NSynonyms
3((3((5E)5(2fluorobenzylidene)4oxo2thioxo13thiazolidin3yl)propanoyl)amino)benzoicacid
3(3((5E)5((2fluorophenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)propanoylamino)benzoicacid
C1=CC=C(C(=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC(=C3)C(=O)O)F
InChI=1SC20H15FN2O4S2c2115721412(15)111618(25)23(20(28)2916)9817(24)221463513(1014)19(26)27h171011H89H2(H2224)(H2627)b1611+
MFCD18192235
O=C(Nc1cccc(c1)C(=O)O)CCN1C(=S)SC(=Cc2ccccc2F)C1=O
ZINC000027530583
ZINC27530583
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