Vitas-M small molecule compound
2-({5-[3-(4-methoxy-3-methylphenyl)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
Catalog ID
STK139495
SMILES COc1ccc(cc1C)CCCc1nnc(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 C26H33N5O2S MW 479.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N5O2S/c1-20-18-21(12-13-23(20)33-3)8-7-11-24-27-28-26(29(24)2)34-19-25(32)31-16-14-30(15-17-31)22-9-5-4-6-10-22/h4-6,9-10,12-13,18H,7-8,11,14-17,19H2,1-3H3InChIKey
HYZSAKQQXZWODV-UHFFFAOYSA-NSynonyms
2((5(3(4METHOXY3METHYLPHENYL)PROPYL)4METHYL124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
2((5(3(4METHOXY3METHYLPHENYL)PROPYL)4METHYL4H124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
CC1=C(C=CC(=C1)CCCC2=NN=C(N2C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)OC
InChI=1SC26H33N5O2Sc1201821(121323(20)333)871124272826(29(24)2)341925(32)31161430(151731)2295461022h46910121318H7811141719H213H3
MFCD04404303
ZINC000009261081
ZINC09261081
ZINC9261081
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