Vitas-M small molecule compound
N-(1-{4-ethyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide
Catalog ID
STK125267
SMILES CCn1c(SCC(=O)Nc2cccc(c2)C(F)(F)F)nnc1C(NC(=O)c1ccccc1)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 C22H22F3N5O2S MW 477.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22F3N5O2S/c1-3-30-19(14(2)26-20(32)15-8-5-4-6-9-15)28-29-21(30)33-13-18(31)27-17-11-7-10-16(12-17)22(23,24)25/h4-12,14H,3,13H2,1-2H3,(H,26,32)(H,27,31)InChIKey
DBXLAGFVZFJJFS-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C(C)NC(=O)C3=CC=CC=C3
InChI=1SC22H22F3N5O2Sc133019(14(2)2620(32)158546915)282921(30)331318(31)27171171016(1217)22(2324)25h41214H313H212H3(H2632)(H2731)
MFCD04212819
N(1(4ETHYL5((2OXO2((3(TRIFLUOROMETHYL)PHENYL)AMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
N(1(4ETHYL5(2OXO2(3(TRIFLUOROMETHYL)ANILINO)ETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
ZINC000001122159
ZINC000001122161
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