Vitas-M small molecule compound

4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-6,7,8,9-tetrahydro-2H-benzo[g]chromen-2-one

Catalog ID
STK597687
SMILES O=c1cc(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)c2c(o1)cc1c(c2)CCCC1

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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 C26H28N2O4 MW 432.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O4/c29-26-14-21(22-12-19-3-1-2-4-20(19)13-24(22)32-26)16-28-9-7-27(8-10-28)15-18-5-6-23-25(11-18)31-17-30-23/h5-6,11-14H,1-4,7-10,15-17H2
InChIKey
JFNJOYPKGRZDTO-UHFFFAOYSA-N
Synonyms
862246-53-5
4((4(13benzodioxol5ylmethyl)piperazin1yl)methyl)6789tetrahydro2Hbenzo(g)chromen2one
4((4(13benzodioxol5ylmethyl)piperazin1yl)methyl)6789tetrahydrobenzo(g)chromen2one
4((4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)methyl)6789tetrahydro2Hbenzo(g)chromen2one
862246535
C1CCC2=C(C1)C=C3C(=CC(=O)OC3=C2)CN4CCN(CC4)CC5=CC6=C(C=C5)OCO6
InChI=1SC26H28N2O4c29261421(221219312420(19)1324(22)3226)16289727(81028)1518562325(1118)31173023h561114H147101517H2
MFCD05698431
ZINC000020501992
ZINC20501992

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Available files

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