Vitas-M small molecule compound
[4-(2-fluorophenyl)piperazin-1-yl]{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}methanethione
Catalog ID
STK696551
SMILES COc1cc(ccc1OCc1ccc(cc1)C)C(=S)N1CCN(CC1)c1ccccc1F
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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 C26H27FN2O2S MW 450.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27FN2O2S/c1-19-7-9-20(10-8-19)18-31-24-12-11-21(17-25(24)30-2)26(32)29-15-13-28(14-16-29)23-6-4-3-5-22(23)27/h3-12,17H,13-16,18H2,1-2H3InChIKey
UZNHNAKEHBFHKR-UHFFFAOYSA-NSynonyms
(4(2FLUOROPHENYL)PIPERAZIN1YL)(3METHOXY4((4METHYLBENZYL)OXY)PHENYL)METHANETHIONE
(4(2FLUOROPHENYL)PIPERAZIN1YL)(3METHOXY4((4METHYLPHENYL)METHOXY)PHENYL)METHANETHIONE
CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=S)N3CCN(CC3)C4=CC=CC=C4F)OC
InChI=1SC26H27FN2O2Sc1197920(10819)183124121121(1725(24)302)26(32)29151328(141629)23643522(23)27h31217H131618H212H3
MFCD04061564
ZINC000009187977
ZINC09187977
ZINC9187977
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