Vitas-M small molecule compound
2-bromo-N-[(5-{[2-(4-cyanophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Catalog ID
STK278650
SMILES N#Cc1ccc(cc1)C(=O)CSc1nnc(n1CC)CNC(=O)c1ccccc1Br
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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 C21H18BrN5O2S MW 484.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN5O2S/c1-2-27-19(12-24-20(29)16-5-3-4-6-17(16)22)25-26-21(27)30-13-18(28)15-9-7-14(11-23)8-10-15/h3-10H,2,12-13H2,1H3,(H,24,29)InChIKey
GKZFCTMCMANZNQ-UHFFFAOYSA-NSynonyms
2BROMON((5((2(4CYANOPHENYL)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
2bromoN((5(2(4cyanophenyl)2oxoethyl)sulfanyl4ethyl124triazol3yl)methyl)benzamide
2BROMON(5(2(4CYANOPHENYL)2OXOETHYLSULFANYL)4ETHYL4H(124)TRIAZOL3YLMETHYL)BENZAMIDE
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C#N)CNC(=O)C3=CC=CC=C3Br
InChI=1SC21H18BrN5O2Sc122719(122420(29)16534617(16)22)252621(27)301318(28)159714(1123)81015h310H21213H21H3(H2429)
MFCD09269437
ZINC000009095791
ZINC09095791
ZINC9095791
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