Vitas-M small molecule compound
1-[(1E)-3-(4-methylpiperidin-1-yl)-1-(6-nitro-1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]pyridin-2(1H)-one
Catalog ID
STK013040
SMILES CC1CCN(CC1)C(=O)/C(=C\c1cc2OCOc2cc1[N+](=O)[O-])/n1ccccc1=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 C21H21N3O6 MW 411.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O6/c1-14-5-8-22(9-6-14)21(26)17(23-7-3-2-4-20(23)25)10-15-11-18-19(30-13-29-18)12-16(15)24(27)28/h2-4,7,10-12,14H,5-6,8-9,13H2,1H3/b17-10+InChIKey
GVZISROGOOMQOK-LICLKQGHSA-NSynonyms
1((1E)3(4METHYLPIPERIDIN1YL)1(6NITRO13BENZODIOXOL5YL)3OXOPROP1EN2YL)PYRIDIN2(1H)ONE
1((E)3(4methylpiperidin1yl)1(6nitro13benzodioxol5yl)3oxoprop1en2yl)pyridin2one
CC1CCN(CC1)C(=O)C(=Cc1cc2OCOc2cc1(N+)(=O)(O))n1ccccc1=O
CC1CCN(CC1)C(=O)C(=CC2=CC3=C(C=C2(N+)(=O)(O))OCO3)N4C=CC=CC4=O
InChI=1SC21H21N3O6c1145822(9614)21(26)17(23732420(23)25)1015111819(30132918)1216(15)24(27)28h247101214H568913H21H3b1710+
MFCD09267142
STK013040
ZINC000008983701
ZINC08983701
ZINC8983701
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