Vitas-M small molecule compound
2-({5-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
Catalog ID
STL182079
SMILES CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1COc1ccc(c(c1)C)Cl
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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 C24H28ClN5O2S MW 486.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28ClN5O2S/c1-3-30-22(16-32-20-9-10-21(25)18(2)15-20)26-27-24(30)33-17-23(31)29-13-11-28(12-14-29)19-7-5-4-6-8-19/h4-10,15H,3,11-14,16-17H2,1-2H3InChIKey
DCTGXINYRACDRE-UHFFFAOYSA-NSynonyms
2((5((4CHLORO3METHYLPHENOXY)METHYL)4ETHYL124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
2((5((4chloro3methylphenoxy)methyl)4ethyl4H124triazol3yl)sulfanyl)1(4phenylpiperazin1yl)ethanone
CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)COC4=CC(=C(C=C4)Cl)C
InChI=1SC24H28ClN5O2Sc133022(16322091021(25)18(2)1520)262724(30)331723(31)29131128(121429)197546819h41015H311141617H212H3
MFCD06003690
ZINC000016400101
ZINC16400101
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