Vitas-M small molecule compound
N-(2-bromo-4,6-difluorophenyl)-2-({5-[(2,3-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STL139257
SMILES O=C(Nc1c(F)cc(cc1Br)F)CSc1nnc(n1C)COc1cccc(c1C)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 C20H19BrF2N4O2S MW 497.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrF2N4O2S/c1-11-5-4-6-16(12(11)2)29-9-17-25-26-20(27(17)3)30-10-18(28)24-19-14(21)7-13(22)8-15(19)23/h4-8H,9-10H2,1-3H3,(H,24,28)InChIKey
SWKKCZZMBTYSAC-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)OCC2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3Br)F)F)C
InChI=1SC20H19BrF2N4O2Sc11154616(12(11)2)29917252620(27(17)3)301018(28)241914(21)713(22)815(19)23h48H910H213H3(H2428)
MFCD05110721
N(2BROMO46DIFLUOROPHENYL)2((5((23DIMETHYLPHENOXY)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2bromo46difluorophenyl)2((5((23dimethylphenoxy)methyl)4methyl4H124triazol3yl)sulfanyl)acetamide
ZINC000000633925
ZINC00633925
ZINC633925
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