Vitas-M small molecule compound

1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methyl-3-nitrophenyl)sulfonyl]piperazine

Catalog ID
STK072349
SMILES [O-][N+](=O)c1cc(ccc1C)S(=O)(=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 C19H21N3O6S MW 419.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O6S/c1-14-2-4-16(11-17(14)22(23)24)29(25,26)21-8-6-20(7-9-21)12-15-3-5-18-19(10-15)28-13-27-18/h2-5,10-11H,6-9,12-13H2,1H3
InChIKey
ZITFFZDDDZEYQW-UHFFFAOYSA-N
Synonyms
324779-87-5
(O)(N+)(=O)c1cc(ccc1C)S(=O)(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
1(13BENZODIOXOL5YLMETHYL)4((4METHYL3NITROPHENYL)SULFONYL)PIPERAZINE
1(13BENZODIOXOL5YLMETHYL)4(4METHYL3NITROPHENYL)SULFONYLPIPERAZINE
1(BENZO(D)(13)DIOXOL5YLMETHYL)4((4METHYL3NITROPHENYL)SULFONYL)PIPERAZINE
324779875
4((4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)SULFONYL)1METHYL2NITROBENZENE
CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)(N+)(=O)(O)
InChI=1SC19H21N3O6Sc1142416(1117(14)22(23)24)29(2526)218620(7921)1215351819(1015)28132718h251011H691213H21H3
MFCD01795575
STK072349
ZINC000019782285
ZINC19782285

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Available files

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