Vitas-M small molecule compound

5-bromo-6-methoxy-8-[(1E)-2-nitroprop-1-en-1-yl]-3,4-dihydro-2H-chromene

Catalog ID
STK595076
SMILES COc1cc(/C=C(/[N+](=O)[O-])\C)c2c(c1Br)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 C13H14BrNO4 MW 328.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14BrNO4/c1-8(15(16)17)6-9-7-11(18-2)12(14)10-4-3-5-19-13(9)10/h6-7H,3-5H2,1-2H3/b8-6+
InChIKey
NKKPESGNULRHQJ-SOFGYWHQSA-N
Synonyms
301157-13-1
(E)5bromo6methoxy8(2nitroprop1en1yl)chroman
301157131
5bromo6methoxy8((1E)2nitroprop1en1yl)34dihydro2Hchromene
5BROMO6METHOXY8((E)2NITROPROP1ENYL)34DIHYDRO2HCHROMENE
8((1E)2NITROPROP1ENYL)5BROMO6METHOXYCHROMANE
CC(=CC1=CC(=C(C2=C1OCCC2)Br)OC)(N+)(=O)(O)
COc1cc(C=C((N+)(=O)(O))C)c2c(c1Br)CCCO2
InChI=1SC13H14BrNO4c18(15(16)17)69711(182)12(14)104351913(9)10h67H35H212H3b86+
MFCD01245879
ZINC000013554499
ZINC13554499

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Available files

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