Vitas-M small molecule compound

[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][2-methoxy-4-(methylsulfanyl)phenyl]methanone

Catalog ID
STK076427
SMILES CSc1ccc(c(c1)OC)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 C21H24N2O4S MW 400.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O4S/c1-25-19-12-16(28-2)4-5-17(19)21(24)23-9-7-22(8-10-23)13-15-3-6-18-20(11-15)27-14-26-18/h3-6,11-12H,7-10,13-14H2,1-2H3
InChIKey
JBDKEIFCZUBVRQ-UHFFFAOYSA-N
Synonyms
349540-87-0
(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)(2METHOXY4(METHYLSULFANYL)PHENYL)METHANONE
(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)(2METHOXY4METHYLSULFANYLPHENYL)METHANONE
(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)(2methoxy4(methylthio)phenyl)methanone
349540870
4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL2METHOXY4METHYLTHIOPHENYLKETONE
COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
CSc1ccc(c(c1)OC)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
InChI=1SC21H24N2O4Sc125191216(282)4517(19)21(24)239722(81023)1315361820(1115)27142618h361112H7101314H212H3
MFCD02736144
STK076427
ZINC000019866736
ZINC19866736

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Available files

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