Vitas-M small molecule compound

3-hydroxy-3-(nitromethyl)-1,3-dihydro-2H-indol-2-one

Catalog ID
STK507026
SMILES [O-][N+](=O)CC1(O)C(=O)Nc2c1cccc2

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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 C9H8N2O4 MW 208.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H8N2O4/c12-8-9(13,5-11(14)15)6-3-1-2-4-7(6)10-8/h1-4,13H,5H2,(H,10,12)
InChIKey
LXHQTPGTMXKWEY-UHFFFAOYSA-N
Synonyms
91192-43-7
(O)(N+)(=O)CC1(O)C(=O)Nc2c1cccc2
3hydroxy3(nitromethyl)13dihydro2Hindol2one
3HYDROXY3(NITROMETHYL)1HINDOL2ONE
3HYDROXY3(NITROMETHYL)23DIHYDRO1HINDOL2ONE
3HYDROXY3(NITROMETHYL)INDOLIN2ONE
3HYDROXY3(NITROMETHYL)INDOLINE2ONE
91192437
C1=CC=C2C(=C1)C(C(=O)N2)(C(N+)(=O)(O))O
InChI=1SC9H8N2O4c1289(13511(14)15)631247(6)108h1413H5H2(H1012)
MFCD00088205
ZINC000000503911
ZINC000000503912

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Available files

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