Vitas-M small molecule compound

[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]{1-[4-(benzyloxy)-3-methoxybenzyl]piperidin-4-yl}methanone

Catalog ID
STK115930
SMILES COc1cc(ccc1OCc1ccccc1)CN1CCC(CC1)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 C33H39N3O5 MW 557.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H39N3O5/c1-38-31-19-26(7-9-29(31)39-23-25-5-3-2-4-6-25)21-34-13-11-28(12-14-34)33(37)36-17-15-35(16-18-36)22-27-8-10-30-32(20-27)41-24-40-30/h2-10,19-20,28H,11-18,21-24H2,1H3
InChIKey
CXGIEIXCXSILFH-UHFFFAOYSA-N
Synonyms

(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)(1((3METHOXY4PHENYLMETHOXYPHENYL)METHYL)PIPERIDIN4YL)METHANONE
(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)(1(4(BENZYLOXY)3METHOXYBENZYL)PIPERIDIN4YL)METHANONE
COC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OCC6=CC=CC=C6
InChI=1SC33H39N3O5c138311926(7929(31)3923255324625)2134131128(121434)33(37)36171535(161836)22278103032(2027)41244030h210192028H11182124H21H3
MFCD08675865
ZINC000098045187
ZINC98045187

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Available files

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