Vitas-M small molecule compound

2,3-dihydro-1,4-benzodioxin-2-yl{4-[(4-methoxyphenyl)carbonyl]piperazin-1-yl}methanone

Catalog ID
STK717327
SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2

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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 C21H22N2O5 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5/c1-26-16-8-6-15(7-9-16)20(24)22-10-12-23(13-11-22)21(25)19-14-27-17-4-2-3-5-18(17)28-19/h2-9,19H,10-14H2,1H3
InChIKey
AAKKTZPXZJLQRE-UHFFFAOYSA-N
Synonyms
903194-96-7
(23dihydrobenzo(b)(14)dioxin2yl)(4(4methoxybenzoyl)piperazin1yl)methanone
23dihydro14benzodioxin2yl(4((4methoxyphenyl)carbonyl)piperazin1yl)methanone
23dihydro14benzodioxin3yl(4(4methoxybenzoyl)piperazin1yl)methanone
903194967
COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3
InChI=1SC21H22N2O5c126168615(7916)20(24)22101223(131122)21(25)19142717423518(17)2819h2919H1014H21H3
MFCD08291916
ZINC000006760362
ZINC000006760363

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Available files

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