Vitas-M small molecule compound
methyl 3-[(4-benzylpiperidin-1-yl)carbonyl]-5-nitrobenzoate
Catalog ID
STK072537
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N1CCC(CC1)Cc1ccccc1
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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 C21H22N2O5 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5/c1-28-21(25)18-12-17(13-19(14-18)23(26)27)20(24)22-9-7-16(8-10-22)11-15-5-3-2-4-6-15/h2-6,12-14,16H,7-11H2,1H3InChIKey
ZSFCYSOHLQOEBF-UHFFFAOYSA-NSynonyms
329932-17-43(4BENZYLPIPERIDINE1CARBONYL)5NITROBENZOICACIDMETHYLESTER
329932174
COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)CC3=CC=CC=C3)(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)N1CCC(CC1)Cc1ccccc1
InChI=1SC21H22N2O5c12821(25)181217(1319(1418)23(26)27)20(24)229716(81022)11155324615h26121416H711H21H3
METHYL3((4BENZYLPIPERIDIN1YL)CARBONYL)5NITROBENZOATE
METHYL3(4BENZYLPIPERIDINE1CARBONYL)5NITROBENZOATE
METHYL5NITRO3((4BENZYLPIPERIDYL)CARBONYL)BENZOATE
MFCD01196982
STK072537
ZINC000000651290
ZINC00651290
ZINC651290
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