Vitas-M small molecule compound

1-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethoxy-2-nitrobenzyl)piperazine

Catalog ID
STK145445
SMILES COc1cc([N+](=O)[O-])c(cc1OC)CN1CCN(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 C21H25N3O6 MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O6/c1-27-19-10-16(17(24(25)26)11-20(19)28-2)13-23-7-5-22(6-8-23)12-15-3-4-18-21(9-15)30-14-29-18/h3-4,9-11H,5-8,12-14H2,1-2H3
InChIKey
GMIBJSJTHQLYJJ-UHFFFAOYSA-N
Synonyms

1(13BENZODIOXOL5YLMETHYL)4((45DIMETHOXY2NITROPHENYL)METHYL)PIPERAZINE
1(13BENZODIOXOL5YLMETHYL)4(45DIMETHOXY2NITROBENZYL)PIPERAZINE
1BENZO(13)DIOXOL5YLMETHYL4(45DIMETHOXY2NITROBENZYL)PIPERAZINE
COC1=C(C=C(C(=C1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)(N+)(=O)(O))OC
COc1cc((N+)(=O)(O))c(cc1OC)CN1CCN(CC1)Cc1ccc2c(c1)OCO2
InChI=1SC21H25N3O6c127191016(17(24(25)26)1120(19)282)13237522(6823)1215341821(915)30142918h34911H581214H212H3
MFCD01825711
ZINC000000865269
ZINC865269

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Available files

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