Vitas-M small molecule compound

1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one

Catalog ID
STK855354
SMILES O=C(C12CCC(C2(C)C)(C(=O)O1)C)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 C22H28N2O5 MW 400.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O5/c1-20(2)21(3)6-7-22(20,29-19(21)26)18(25)24-10-8-23(9-11-24)13-15-4-5-16-17(12-15)28-14-27-16/h4-5,12H,6-11,13-14H2,1-3H3
InChIKey
BNANOFNJKOWXHE-UHFFFAOYSA-N
Synonyms
613658-60-9
(1S4S)1(4(benzo(d)(13)dioxol5ylmethyl)piperazine1carbonyl)477trimethyl2oxabicyclo(221)heptan3one
1((4(13benzodioxol5ylmethyl)piperazin1yl)carbonyl)477trimethyl2oxabicyclo(221)heptan3one
4(4(13BENZODIOXOL5YLMETHYL)PIPERAZINE1CARBONYL)177TRIMETHYL3OXABICYCLO(221)HEPTAN2ONE
613658609
CC1(C2(CCC1(OC2=O)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C)C
InChI=1SC22H28N2O5c120(2)21(3)6722(202919(21)26)18(25)2410823(91124)1315451617(1215)28142716h4512H6111314H213H3
MFCD06260889
ZINC000020572765

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Available files

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