Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][1-(3-bromo-4-hydroxy-5-methoxybenzyl)piperidin-4-yl]methanone
Catalog ID
STK133920
SMILES COc1cc(CN2CCC(CC2)C(=O)N2CCN(CC2)Cc2ccc3c(c2)OCO3)cc(c1O)Br
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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 C26H32BrN3O5 MW 546.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32BrN3O5/c1-33-24-14-19(12-21(27)25(24)31)16-28-6-4-20(5-7-28)26(32)30-10-8-29(9-11-30)15-18-2-3-22-23(13-18)35-17-34-22/h2-3,12-14,20,31H,4-11,15-17H2,1H3InChIKey
YSLDXXPYHUAAGK-UHFFFAOYSA-NSynonyms
(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)(1((3BROMO4HYDROXY5METHOXYPHENYL)METHYL)PIPERIDIN4YL)METHANONE
(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)(1(3BROMO4HYDROXY5METHOXYBENZYL)PIPERIDIN4YL)METHANONE
COC1=C(C(=CC(=C1)CN2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Br)O
InChI=1SC26H32BrN3O5c133241419(1221(27)25(24)31)16286420(5728)26(32)3010829(91130)1518232223(1318)35173422h2312142031H4111517H21H3
MFCD08675902
ZINC000098045247
ZINC98045247
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