Vitas-M small molecule compound

6-nitro-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2(3H)-one

Catalog ID
STK696232
SMILES [O-][N+](=O)c1ccc2c(c1)oc(=O)n2CN1CCCCC1

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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 C13H15N3O4 MW 277.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O4/c17-13-15(9-14-6-2-1-3-7-14)11-5-4-10(16(18)19)8-12(11)20-13/h4-5,8H,1-3,6-7,9H2
InChIKey
HSOUZZCVNFAIKP-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc2c(c1)oc(=O)n2CN1CCCCC1
6nitro3(piperidin1ylmethyl)13benzoxazol2(3H)one
6NITRO3(PIPERIDIN1YLMETHYL)13BENZOXAZOL2ONE
6NITRO3(PIPERIDYLMETHYL)3HYDROBENZOXAZOL2ONE
C1CCN(CC1)CN2C3=C(C=C(C=C3)(N+)(=O)(O))OC2=O
InChI=1SC13H15N3O4c171315(9146213714)115410(16(18)19)812(11)2013h458H13679H2
MFCD00781385
ZINC000000033177
ZINC33177

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.