Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](2-methyl-3-nitrophenyl)methanone
Catalog ID
STK030786
SMILES O=C(c1cccc(c1C)[N+](=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 C20H21N3O5 MW 383.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O5/c1-14-16(3-2-4-17(14)23(25)26)20(24)22-9-7-21(8-10-22)12-15-5-6-18-19(11-15)28-13-27-18/h2-6,11H,7-10,12-13H2,1H3InChIKey
KRLRLLAUMXTMBA-UHFFFAOYSA-NSynonyms
349616-43-9(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)(2METHYL3NITROPHENYL)METHANONE
1(13BENZODIOXOL5YLMETHYL)4(2METHYL3NITROBENZOYL)PIPERAZINE
349616439
4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL2METHYL3NITROPHENYLKETONE
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
InChI=1SC20H21N3O5c11416(32417(14)23(25)26)20(24)229721(81022)1215561819(1115)28132718h2611H7101213H21H3
MFCD02603820
O=C(c1cccc(c1C)(N+)(=O)(O))N1CCN(CC1)Cc1ccc2c(c1)OCO2
STK030786
ZINC000019866693
ZINC19866693
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