Vitas-M small molecule compound
ethyl 1-[(5-bromo-5-nitro-2'-oxospiro[1,3-dioxane-2,3'-indol]-1'(2'H)-yl)methyl]piperidine-4-carboxylate
Catalog ID
STK710748
SMILES CCOC(=O)C1CCN(CC1)CN1c2ccccc2C2(C1=O)OCC(CO2)(Br)[N+](=O)[O-]
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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 C20H24BrN3O7 MW 498.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24BrN3O7/c1-2-29-17(25)14-7-9-22(10-8-14)13-23-16-6-4-3-5-15(16)20(18(23)26)30-11-19(21,12-31-20)24(27)28/h3-6,14H,2,7-13H2,1H3InChIKey
ZHXFOASILGQQMJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1CCN(CC1)CN1c2ccccc2C2(C1=O)OCC(CO2)(Br)(N+)(=O)(O)
CCOC(=O)C1CCN(CC1)CN2C3=CC=CC=C3C4(C2=O)OCC(CO4)((N+)(=O)(O))Br
ethyl1((5bromo5nitro2oxospiro(13dioxane23indol)1(2H)yl)methyl)piperidine4carboxylate
ETHYL1((5BROMO5NITRO2OXOSPIRO(13DIOXANE23INDOLE)1YL)METHYL)PIPERIDINE4CARBOXYLATE
InChI=1SC20H24BrN3O7c122917(25)147922(10814)132316643515(16)20(18(23)26)301119(21123120)24(27)28h3614H2713H21H3
MFCD06016991
ZINC000012413135
ZINC12413135
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