Vitas-M small molecule compound

5-(hydroxymethyl)-1'-[(3-methylpiperidin-1-yl)methyl]-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one

Catalog ID
STK663364
SMILES OCC1(COC2(OC1)c1ccccc1N(C2=O)CN1CCCC(C1)C)[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 C19H25N3O6 MW 391.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O6/c1-14-5-4-8-20(9-14)13-21-16-7-3-2-6-15(16)19(17(21)24)27-11-18(10-23,12-28-19)22(25)26/h2-3,6-7,14,23H,4-5,8-13H2,1H3
InChIKey
RFUUEWFNHZZBRC-UHFFFAOYSA-N
Synonyms

5(hydroxymethyl)1((3methylpiperidin1yl)methyl)5nitrospiro(13dioxane23indol)2(1H)one
5(HYDROXYMETHYL)1((3METHYLPIPERIDIN1YL)METHYL)5NITROSPIRO(13DIOXANE23INDOLE)2ONE
CC1CCCN(C1)CN2C3=CC=CC=C3C4(C2=O)OCC(CO4)(CO)(N+)(=O)(O)
InChI=1SC19H25N3O6c11454820(914)132116732615(16)19(17(21)24)271118(1023122819)22(25)26h23671423H45813H21H3
MFCD02648705
OCC1(COC2(OC1)c1ccccc1N(C2=O)CN1CCCC(C1)C)(N+)(=O)(O)
ZINC000000784125
ZINC000000784126

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Available files

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