Vitas-M small molecule compound
3-[(4-nitro-1H-pyrazol-1-yl)carbonyl]-2H-chromen-2-one
Catalog ID
STK731415
SMILES O=c1oc2ccccc2cc1C(=O)n1ncc(c1)[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 C13H7N3O5 MW 285.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H7N3O5/c17-12(15-7-9(6-14-15)16(19)20)10-5-8-3-1-2-4-11(8)21-13(10)18/h1-7HInChIKey
LSQKXDRXDUPDHA-UHFFFAOYSA-NSynonyms
3((4nitro1Hpyrazol1yl)carbonyl)2Hchromen2one
3((4NITROPYRAZOLYL)CARBONYL)CHROMEN2ONE
3(4NITROPYRAZOLE1CARBONYL)CHROMEN2ONE
C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)N3C=C(C=N3)(N+)(=O)(O)
InChI=1SC13H7N3O5c1712(1579(61415)16(19)20)1058312411(8)2113(10)18h17H
MFCD01449574
O=c1oc2ccccc2cc1C(=O)n1ncc(c1)(N+)(=O)(O)
ZINC000000033376
ZINC00033376
ZINC33376
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