Vitas-M small molecule compound
3-{4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]but-2-yn-1-yl}-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
Catalog ID
STK548425
SMILES O=C1N(CC#CCN2CCN(CC2)Cc2ccc3c(c2)OCO3)C(=O)C2(C(C1CC2)(C)C)C
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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 C26H33N3O4 MW 451.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N3O4/c1-25(2)20-8-9-26(25,3)24(31)29(23(20)30)11-5-4-10-27-12-14-28(15-13-27)17-19-6-7-21-22(16-19)33-18-32-21/h6-7,16,20H,8-15,17-18H2,1-3H3InChIKey
CLHFQRMSGDATPH-UHFFFAOYSA-NSynonyms
(1S5R)3(4(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)BUT2YN1YL)188TRIMETHYL3AZABICYCLO(321)OCTANE24DIONE
(S)3(4(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)but2yn1yl)188trimethyl3azabicyclo(321)octane24dionedihydrochloride
3(4(4(13benzodioxol5ylmethyl)piperazin1yl)but2yn1yl)188trimethyl3azabicyclo(321)octane24dione
3(4(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)BUT2YNYL)588TRIMETHYL3AZABICYCLO(321)OCTANE24DIONE
CC1(C2CCC1(C(=O)N(C2=O)CC#CCN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C)C
InChI=1SC26H33N3O4c125(2)208926(253)24(31)29(23(20)30)11541027121428(151327)1719672122(1619)33183221h671620H8151718H213H3
MFCD01088341
O=C1N(CC#CCN2CCN(CC2)Cc2ccc3c(c2)OCO3)C(=O)C2(C(C1CC2)(C)C)CClCl
ZINC000019367858
Check stock
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Check stock on Vitas-MAvailable files
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