Vitas-M small molecule compound
N-(4-bromo-2-fluorophenyl)-2-({4-cyclopropyl-5-[(5-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK307747
SMILES O=C(Nc1ccc(cc1F)Br)CSc1nnc(n1C1CC1)Cn1nccc1C
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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 C18H18BrFN6OS MW 465.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrFN6OS/c1-11-6-7-21-25(11)9-16-23-24-18(26(16)13-3-4-13)28-10-17(27)22-15-5-2-12(19)8-14(15)20/h2,5-8,13H,3-4,9-10H2,1H3,(H,22,27)InChIKey
ZCFZYLLPZBLIHA-UHFFFAOYSA-NSynonyms
1005583-87-81005583878
CC1=CC=NN1CC2=NN=C(N2C3CC3)SCC(=O)NC4=C(C=C(C=C4)Br)F
InChI=1SC18H18BrFN6OSc111672125(11)916232418(26(16)133413)281017(27)22155212(19)814(15)20h25813H34910H21H3(H2227)
MFCD05666946
N(4bromo2fluorophenyl)2((4cyclopropyl5((5methyl1Hpyrazol1yl)methyl)4H124triazol3yl)sulfanyl)acetamide
N(4bromo2fluorophenyl)2((4cyclopropyl5((5methylpyrazol1yl)methyl)124triazol3yl)sulfanyl)acetamide
ZINC000002794341
ZINC02794341
ZINC2794341
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