Vitas-M small molecule compound

6-methoxy-8-[(E)-2-nitroethenyl]-3,4-dihydro-2H-chromene

Catalog ID
STK850100
SMILES COc1cc(/C=C/[N+](=O)[O-])c2c(c1)CCCO2

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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 C12H13NO4 MW 235.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13NO4/c1-16-11-7-9-3-2-6-17-12(9)10(8-11)4-5-13(14)15/h4-5,7-8H,2-3,6H2,1H3/b5-4+
InChIKey
XJEDKUDCOCOTSY-SNAWJCMRSA-N
Synonyms
301157-12-0
(E)6methoxy8(2nitrovinyl)chroman
301157120
6methoxy8((E)2nitroethenyl)34dihydro2Hchromene
8((1E)2NITROVINYL)6METHOXYCHROMANE
COC1=CC2=C(C(=C1)C=C(N+)(=O)(O))OCCC2
COc1cc(C=C(N+)(=O)(O))c2c(c1)CCCO2
InChI=1SC12H13NO4c11611793261712(9)10(811)4513(14)15h4578H236H21H3b54+
MFCD00857113
ZINC000004136050
ZINC04136050
ZINC4136050

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Available files

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