Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](3-methyl-4-nitrophenyl)methanone
Catalog ID
STK025429
SMILES O=C(c1ccc(c(c1)C)[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/c1-14-10-16(3-4-17(14)23(25)26)20(24)22-8-6-21(7-9-22)12-15-2-5-18-19(11-15)28-13-27-18/h2-5,10-11H,6-9,12-13H2,1H3InChIKey
YATALRNZQPRMIY-UHFFFAOYSA-NSynonyms
349621-42-7(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)(3METHYL4NITROPHENYL)METHANONE
(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)(3methyl4nitrophenyl)methanone
349621427
4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL3METHYL4NITROPHENYLKETONE
CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)(N+)(=O)(O)
InChI=1SC20H21N3O5c1141016(3417(14)23(25)26)20(24)228621(7922)1215251819(1115)28132718h251011H691213H21H3
MFCD02862074
O=C(c1ccc(c(c1)C)(N+)(=O)(O))N1CCN(CC1)Cc1ccc2c(c1)OCO2
STK025429
ZINC000019866979
ZINC19866979
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