Vitas-M small molecule compound
2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
Catalog ID
STK309717
SMILES O=C(N1N=C(CC1(O)C(F)(F)F)C)CSc1nnc(n1C)c1ccc(cc1)Br
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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 C16H15BrF3N5O2S MW 478.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15BrF3N5O2S/c1-9-7-15(27,16(18,19)20)25(23-9)12(26)8-28-14-22-21-13(24(14)2)10-3-5-11(17)6-4-10/h3-6,27H,7-8H2,1-2H3InChIKey
YUBLSOUHPGFIBK-UHFFFAOYSA-NSynonyms
832115-04-52((5(4bromophenyl)4methyl124triazol3yl)sulfanyl)1(5hydroxy3methyl5(trifluoromethyl)4Hpyrazol1yl)ethanone
2((5(4bromophenyl)4methyl4H124triazol3yl)sulfanyl)1(5hydroxy3methyl5(trifluoromethyl)45dihydro1Hpyrazol1yl)ethanone
832115045
CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)Br
InChI=1SC16H15BrF3N5O2Sc19715(2716(1819)20)25(239)12(26)82814222113(24(14)2)103511(17)6410h3627H78H212H3
MFCD04053397
ZINC000013960029
ZINC000013960030
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