Vitas-M small molecule compound
3-[(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)acetyl]-2H-chromen-2-one
Catalog ID
STK208759
SMILES O=C(c1cc2ccccc2oc1=O)Cn1nc(nc1Br)[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 C13H7BrN4O5 MW 379.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H7BrN4O5/c14-12-15-13(18(21)22)16-17(12)6-9(19)8-5-7-3-1-2-4-10(7)23-11(8)20/h1-5H,6H2InChIKey
KNWGJQCLSMZBBT-UHFFFAOYSA-NSynonyms
3((5BROMO3NITRO1H124TRIAZOL1YL)ACETYL)2HCHROMEN2ONE
3(2(5BROMO3NITRO124TRIAZOL1YL)ACETYL)CHROMEN2ONE
3(2(5BROMO3NITRO124TRIAZOLYL)ACETYL)CHROMEN2ONE
C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)CN3C(=NC(=N3)(N+)(=O)(O))Br
InChI=1SC13H7BrN4O5c14121513(18(21)22)1617(12)69(19)857312410(7)2311(8)20h15H6H2
MFCD06016959
O=C(c1cc2ccccc2oc1=O)Cn1nc(nc1Br)(N+)(=O)(O)
ZINC000004727757
ZINC04727757
ZINC4727757
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