Vitas-M small molecule compound
2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
Catalog ID
STK139560
SMILES O=C(N1CCN(CC1)c1ccccc1)CSc1nnc(n1c1ccccc1)COc1c(C)cccc1C
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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 C29H31N5O2S MW 513.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O2S/c1-22-10-9-11-23(2)28(22)36-20-26-30-31-29(34(26)25-14-7-4-8-15-25)37-21-27(35)33-18-16-32(17-19-33)24-12-5-3-6-13-24/h3-15H,16-21H2,1-2H3InChIKey
PBFPLMGJJCCXER-UHFFFAOYSA-NSynonyms
2((5((26DIMETHYLPHENOXY)METHYL)4PHENYL124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
2((5((26DIMETHYLPHENOXY)METHYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5
InChI=1SC29H31N5O2Sc1221091123(2)28(22)362026303129(34(26)25147481525)372127(35)33181632(171933)24125361324h315H1621H212H3
MFCD04400095
ZINC000009260927
ZINC09260927
ZINC9260927
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