Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-methyl-3,5-dinitrophenyl)methanone
Catalog ID
STK444506
SMILES O=C(c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)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 C20H20N4O7 MW 428.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O7/c1-13-16(23(26)27)9-15(10-17(13)24(28)29)20(25)22-6-4-21(5-7-22)11-14-2-3-18-19(8-14)31-12-30-18/h2-3,8-10H,4-7,11-12H2,1H3InChIKey
GYSNUNFYDONBQF-UHFFFAOYSA-NSynonyms
(4(13benzodioxol5ylmethyl)piperazin1yl)(4methyl35dinitrophenyl)methanone
4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL4METHYL35DINITROPHENYLKETONE
CC1=C(C=C(C=C1(N+)(=O)(O))C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)(N+)(=O)(O)
InChI=1SC20H20N4O7c11316(23(26)27)915(1017(13)24(28)29)20(25)226421(5722)1114231819(814)31123018h23810H471112H21H3
MFCD04055636
O=C(c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C)N1CCN(CC1)Cc1ccc2c(c1)OCO2
ZINC000017095743
ZINC17095743
Check stock
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