Vitas-M small molecule compound
2-bromo-N-{1-[4-ethyl-5-({2-[(2-methoxy-5-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK135878
SMILES CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1C(NC(=O)c1ccccc1Br)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 C23H26BrN5O3S MW 532.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26BrN5O3S/c1-5-29-21(15(3)25-22(31)16-8-6-7-9-17(16)24)27-28-23(29)33-13-20(30)26-18-12-14(2)10-11-19(18)32-4/h6-12,15H,5,13H2,1-4H3,(H,25,31)(H,26,30)InChIKey
JJOKVFLDIBQFTD-UHFFFAOYSA-NSynonyms
2BROMON(1(4ETHYL5((2((2METHOXY5METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
2BROMON(1(4ETHYL5(2(2METHOXY5METHYLANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C)OC)C(C)NC(=O)C3=CC=CC=C3Br
InChI=1SC23H26BrN5O3Sc152921(15(3)2522(31)16867917(16)24)272823(29)331320(30)26181214(2)101119(18)324h61215H513H214H3(H2531)(H2630)
MFCD05986427
ZINC000001128281
ZINC000001128282
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