Vitas-M small molecule compound
2-{[5-benzyl-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-2,6-dimethylphenyl)acetamide
Catalog ID
STL375365
SMILES O=C(Nc1c(C)cc(cc1C)Br)CSc1nnc(n1c1ccc(cc1)F)Cc1ccccc1
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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 C25H22BrFN4OS MW 525.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrFN4OS/c1-16-12-19(26)13-17(2)24(16)28-23(32)15-33-25-30-29-22(14-18-6-4-3-5-7-18)31(25)21-10-8-20(27)9-11-21/h3-13H,14-15H2,1-2H3,(H,28,32)InChIKey
LTCPQNUXOFEECF-UHFFFAOYSA-NSynonyms
2((5BENZYL4(4FLUOROPHENYL)124TRIAZOL3YL)SULFANYL)N(4BROMO26DIMETHYLPHENYL)ACETAMIDE
2((5benzyl4(4fluorophenyl)4H124triazol3yl)sulfanyl)N(4bromo26dimethylphenyl)acetamide
CC1=CC(=CC(=C1NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC=CC=C4)C)Br
InChI=1SC25H22BrFN4OSc1161219(26)1317(2)24(16)2823(32)153325302922(14186435718)31(25)2110820(27)91121h313H1415H212H3(H2832)
MFCD03997011
ZINC000002837844
ZINC2837844
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