Vitas-M small molecule compound
methyl 3-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-5-nitrobenzoate
Catalog ID
STK127832
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=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 C21H21N3O7 MW 427.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O7/c1-29-21(26)16-9-15(10-17(11-16)24(27)28)20(25)23-6-4-22(5-7-23)12-14-2-3-18-19(8-14)31-13-30-18/h2-3,8-11H,4-7,12-13H2,1H3InChIKey
VUFPBMNDSXDLIM-UHFFFAOYSA-NSynonyms
349439-99-2349439992
COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
InChI=1SC21H21N3O7c12921(26)16915(1017(1116)24(27)28)20(25)236422(5723)1214231819(814)31133018h23811H471213H21H3
METHYL3((4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)CARBONYL)5NITROBENZOATE
METHYL3((4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)CARBONYL)5NITROBENZOATE
METHYL3(4(13BENZODIOXOL5YLMETHYL)PIPERAZINE1CARBONYL)5NITROBENZOATE
MFCD02862230
ZINC000019831341
ZINC19831341
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