Vitas-M small molecule compound
2-({5-[(3,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
Catalog ID
STL182829
SMILES CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1COc1cc(C)cc(c1)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 C25H31N5O2S MW 465.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O2S/c1-4-30-23(17-32-22-15-19(2)14-20(3)16-22)26-27-25(30)33-18-24(31)29-12-10-28(11-13-29)21-8-6-5-7-9-21/h5-9,14-16H,4,10-13,17-18H2,1-3H3InChIKey
CXQWGSGSTSETPG-UHFFFAOYSA-NSynonyms
1(((5((35DIMETHYLPHENOXY)METHYL)4ETHYL4H124TRIAZOL3YL)THIO)ACETYL)4PHENYLPIPERAZINE
2((5((35DIMETHYLPHENOXY)METHYL)4ETHYL124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
2((5((35dimethylphenoxy)methyl)4ethyl4H124triazol3yl)sulfanyl)1(4phenylpiperazin1yl)ethanone
CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)COC4=CC(=CC(=C4)C)C
InChI=1SC25H31N5O2Sc143023(1732221519(2)1420(3)1622)262725(30)331824(31)29121028(111329)218657921h591416H410131718H213H3
MFCD06622926
ZINC000008666270
ZINC08666270
ZINC8666270
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