Vitas-M small molecule compound
[4-(benzyloxy)-3-methoxyphenyl](4-benzylpiperazin-1-yl)methanethione
Catalog ID
STL431676
SMILES COc1cc(ccc1OCc1ccccc1)C(=S)N1CCN(CC1)Cc1ccccc1
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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 C26H28N2O2S MW 432.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O2S/c1-29-25-18-23(12-13-24(25)30-20-22-10-6-3-7-11-22)26(31)28-16-14-27(15-17-28)19-21-8-4-2-5-9-21/h2-13,18H,14-17,19-20H2,1H3InChIKey
WFBLGAWKWZHJRC-UHFFFAOYSA-NSynonyms
(4(benzyloxy)3methoxyphenyl)(4benzylpiperazin1yl)methanethione
(4BENZYLPIPERAZIN1YL)(3METHOXY4PHENYLMETHOXYPHENYL)METHANETHIONE
COC1=C(C=CC(=C1)C(=S)N2CCN(CC2)CC3=CC=CC=C3)OCC4=CC=CC=C4
InChI=1SC26H28N2O2Sc129251823(121324(25)302022106371122)26(31)28161427(151728)19218425921h21318H14171920H21H3
MFCD06000923
ZINC000013547120
ZINC13547120
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