Vitas-M small molecule compound
2-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide
Catalog ID
STK186774
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)Br)nnc1CC(=O)Nc1ccccc1F
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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 C21H19BrFN5O2S MW 504.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrFN5O2S/c1-2-11-28-18(12-19(29)25-17-6-4-3-5-16(17)23)26-27-21(28)31-13-20(30)24-15-9-7-14(22)8-10-15/h2-10H,1,11-13H2,(H,24,30)(H,25,29)InChIKey
YBVBLZPRDFOHPT-UHFFFAOYSA-NSynonyms
2(4ALLYL5((4BROMOPHENYLCARBAMOYL)METHYLSULFANYL)4H(124)TRIAZOL3YL)N(2FLUOROPHENYL)ACETAMIDE
2(5((2((4BROMOPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)N(2FLUOROPHENYL)ACETAMIDE
2(5(2(4BROMOANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)N(2FLUOROPHENYL)ACETAMIDE
C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)CC(=O)NC3=CC=CC=C3F
InChI=1SC21H19BrFN5O2Sc12112818(1219(29)2517643516(17)23)262721(28)311320(30)24159714(22)81015h210H11113H2(H2430)(H2529)
MFCD05998956
ZINC000002867094
ZINC02867094
ZINC2867094
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