Vitas-M small molecule compound
{3-[(E)-{[3-(4-tert-butylphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenoxy}acetic acid
Catalog ID
STK598583
SMILES OC(=O)COc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)C(C)(C)C
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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 C21H22N4O3S MW 410.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S/c1-21(2,3)16-9-7-15(8-10-16)19-23-24-20(29)25(19)22-12-14-5-4-6-17(11-14)28-13-18(26)27/h4-12H,13H2,1-3H3,(H,24,29)(H,26,27)/b22-12+InChIKey
QXEXDXKAAURLOF-WSDLNYQXSA-NSynonyms
613230-71-0(3((E)((3(4tertbutylphenyl)5thioxo15dihydro4H124triazol4yl)imino)methyl)phenoxy)aceticacid
2(3((E)(3(4TERTBUTYLPHENYL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)PHENOXY)ACETICACID
613230710
CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC(=CC=C3)OCC(=O)O
InChI=1SC21H22N4O3Sc121(23)169715(81016)19232420(29)25(19)22121454617(1114)281318(26)27h412H13H213H3(H2429)(H2627)b2212+
MFCD07211069
OC(=O)COc1cccc(c1)C=Nn1c(=S)(nH)nc1c1ccc(cc1)C(C)(C)C
ZINC000005789604
ZINC28352181
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