Vitas-M small molecule compound
2-({5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
Catalog ID
STK118408
SMILES CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1COc1c(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 C25H31N5O2S MW 465.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O2S/c1-4-30-22(17-32-24-19(2)9-8-10-20(24)3)26-27-25(30)33-18-23(31)29-15-13-28(14-16-29)21-11-6-5-7-12-21/h5-12H,4,13-18H2,1-3H3InChIKey
JNIASVBBJIIZMX-UHFFFAOYSA-NSynonyms
1(((5((26DIMETHYLPHENOXY)METHYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)4PHENYLPIPERAZINE
2((5((26DIMETHYLPHENOXY)METHYL)4ETHYL124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
2((5((26DIMETHYLPHENOXY)METHYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)COC4=C(C=CC=C4C)C
InChI=1SC25H31N5O2Sc143022(17322419(2)981020(24)3)262725(30)331823(31)29151328(141629)21116571221h512H41318H213H3
MFCD04128539
ZINC000000633754
ZINC00633754
ZINC633754
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