Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-{[(4-methylphenyl)sulfanyl]methyl}phenyl)methanone
Catalog ID
STL071852
SMILES Cc1ccc(cc1)SCc1ccc(cc1)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
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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 C27H28N2O3S MW 460.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O3S/c1-20-2-9-24(10-3-20)33-18-21-4-7-23(8-5-21)27(30)29-14-12-28(13-15-29)17-22-6-11-25-26(16-22)32-19-31-25/h2-11,16H,12-15,17-19H2,1H3InChIKey
OQKQAPBXZKZJPY-UHFFFAOYSA-NSynonyms
(4(13benzodioxol5ylmethyl)piperazin1yl)(4(((4methylphenyl)sulfanyl)methyl)phenyl)methanone
(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)(4((4METHYLPHENYL)SULFANYLMETHYL)PHENYL)METHANONE
CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5
InChI=1SC27H28N2O3Sc1202924(10320)3318214723(8521)27(30)29141228(131529)17226112526(1622)32193125h21116H12151719H21H3
MFCD06626291
ZINC000020481298
ZINC20481298
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