Vitas-M small molecule compound
2-bromo-N-(1-{4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide
Catalog ID
STK497519
SMILES CSc1cccc(c1)NC(=O)CSc1nnc(n1C)C(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 C21H22BrN5O2S2 MW 520.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN5O2S2/c1-13(23-20(29)16-9-4-5-10-17(16)22)19-25-26-21(27(19)2)31-12-18(28)24-14-7-6-8-15(11-14)30-3/h4-11,13H,12H2,1-3H3,(H,23,29)(H,24,28)InChIKey
HNPORJNRXDYWCE-UHFFFAOYSA-NSynonyms
2BROMON((1R)1(4METHYL5((2((3(METHYLSULFANYL)PHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
2BROMON((1S)1(4METHYL5((2((3(METHYLSULFANYL)PHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
2bromoN(1(4methyl5((2((3(methylsulfanyl)phenyl)amino)2oxoethyl)sulfanyl)4H124triazol3yl)ethyl)benzamide
2BROMON(1(4METHYL5(2(3METHYLSULFANYLANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CC(C1=NN=C(N1C)SCC(=O)NC2=CC(=CC=C2)SC)NC(=O)C3=CC=CC=C3Br
InChI=1SC21H22BrN5O2S2c113(2320(29)169451017(16)22)19252621(27(19)2)311218(28)241476815(1114)303h41113H12H213H3(H2329)(H2428)
MFCD04390842
ZINC000002858706
ZINC000002858707
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