Vitas-M small molecule compound
{2-[(E)-{[3-(4-fluorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenoxy}acetic acid
Catalog ID
STL048339
SMILES OC(=O)COc1ccccc1/C=N/n1c(=S)[nH]nc1c1ccc(cc1)F
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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 C17H13FN4O3S MW 372.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13FN4O3S/c18-13-7-5-11(6-8-13)16-20-21-17(26)22(16)19-9-12-3-1-2-4-14(12)25-10-15(23)24/h1-9H,10H2,(H,21,26)(H,23,24)/b19-9+InChIKey
JZHSWCOKTNEEMW-DJKKODMXSA-NSynonyms
575469-97-5(2((E)((3(4fluorophenyl)5thioxo15dihydro4H124triazol4yl)imino)methyl)phenoxy)aceticacid
2(2(((3(4FLUOROPHENYL)5THIOXO1H124TRIAZOL4(5H)YL)IMINO)METHYL)PHENOXY)ACETICACID
2(2((1E)2(5(4FLUOROPHENYL)3SULFANYL(124TRIAZOL4YL))2AZAVINYL)PHENOXY)ACETICACID
2(2((E)(3(4FLUOROPHENYL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)PHENOXY)ACETICACID
575469975
C1=CC=C(C(=C1)C=NN2C(=NNC2=S)C3=CC=C(C=C3)F)OCC(=O)O
InChI=1SC17H13FN4O3Sc18137511(6813)16202117(26)22(16)19912312414(12)251015(23)24h19H10H2(H2126)(H2324)b199+
MFCD05737865
OC(=O)COc1ccccc1C=Nn1c(=S)(nH)nc1c1ccc(cc1)F
ZINC000002375943
ZINC2375941
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