Vitas-M small molecule compound

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

Catalog ID
STK686595
SMILES COc1cc(CCNC(=O)CN2CCN(CC2)Cc2ccc3c(c2)OCO3)ccc1OC

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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 C24H31N3O5 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31N3O5/c1-29-20-5-3-18(13-22(20)30-2)7-8-25-24(28)16-27-11-9-26(10-12-27)15-19-4-6-21-23(14-19)32-17-31-21/h3-6,13-14H,7-12,15-17H2,1-2H3,(H,25,28)
InChIKey
PTMFTMIBAPJPFL-UHFFFAOYSA-N
Synonyms
728025-23-8
2(4(13benzodioxol5ylmethyl)piperazin1yl)N(2(34dimethoxyphenyl)ethyl)acetamide
728025238
COC1=C(C=C(C=C1)CCNC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC
InChI=1SC24H31N3O5c129205318(1322(20)302)782524(28)162711926(101227)1519462123(1419)32173121h361314H7121517H212H3(H2528)
MFCD03982525
ZINC000019367984
ZINC19367984

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.