Vitas-M small molecule compound
4-bromo-N-{[4-ethyl-5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK140101
SMILES COc1ccc(cc1)NC(=O)CSc1nnc(n1CC)CNC(=O)c1ccc(cc1)Br
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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 C21H22BrN5O3S MW 504.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN5O3S/c1-3-27-18(12-23-20(29)14-4-6-15(22)7-5-14)25-26-21(27)31-13-19(28)24-16-8-10-17(30-2)11-9-16/h4-11H,3,12-13H2,1-2H3,(H,23,29)(H,24,28)InChIKey
BUHRBAKLWYHUSE-UHFFFAOYSA-NSynonyms
4BROMON((4ETHYL5((2((4METHOXYPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
4BROMON((4ETHYL5(2(4METHOXYANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)CNC(=O)C3=CC=C(C=C3)Br
InChI=1SC21H22BrN5O3Sc132718(122320(29)144615(22)7514)252621(27)311319(28)241681017(302)11916h411H31213H212H3(H2329)(H2428)
MFCD05986460
ZINC000001130662
ZINC01130662
ZINC1130662
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