Vitas-M small molecule compound
2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
Catalog ID
STK139614
SMILES CCOc1cc(C)ccc1OCc1nnc(n1C)SCC(=O)N1CCN(CC1)c1ccccc1
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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 C25H31N5O3S MW 481.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O3S/c1-4-32-22-16-19(2)10-11-21(22)33-17-23-26-27-25(28(23)3)34-18-24(31)30-14-12-29(13-15-30)20-8-6-5-7-9-20/h5-11,16H,4,12-15,17-18H2,1-3H3InChIKey
SRVHPWMWMSAJNJ-UHFFFAOYSA-NSynonyms
2((5((2ETHOXY4METHYLPHENOXY)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
2((5((2ETHOXY4METHYLPHENOXY)METHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
CCOC1=C(C=CC(=C1)C)OCC2=NN=C(N2C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4
InChI=1SC25H31N5O3Sc1432221619(2)101121(22)331723262725(28(23)3)341824(31)30141229(131530)208657920h51116H412151718H213H3
MFCD04390555
ZINC000009261273
ZINC09261273
ZINC9261273
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