Vitas-M small molecule compound
3-[(4-benzylpiperazin-1-yl)carbonyl]-6-nitro-2H-chromen-2-one
Catalog ID
STK414833
SMILES O=C(c1cc2cc(ccc2oc1=O)[N+](=O)[O-])N1CCN(CC1)Cc1ccccc1
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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 C21H19N3O5 MW 393.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O5/c25-20(23-10-8-22(9-11-23)14-15-4-2-1-3-5-15)18-13-16-12-17(24(27)28)6-7-19(16)29-21(18)26/h1-7,12-13H,8-11,14H2InChIKey
QMJLJUUXPDNSKB-UHFFFAOYSA-NSynonyms
681838-15-33((4benzylpiperazin1yl)carbonyl)6nitro2Hchromen2one
3(4BENZYLPIPERAZINE1CARBONYL)6NITROCHROMEN2ONE
681838153
6NITRO3((4BENZYLPIPERAZINYL)CARBONYL)CHROMEN2ONE
C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=CC(=C4)(N+)(=O)(O))OC3=O
InChI=1SC21H19N3O5c2520(2310822(91123)14154213515)1813161217(24(27)28)6719(16)2921(18)26h171213H81114H2
MFCD03767498
O=C(c1cc2cc(ccc2oc1=O)(N+)(=O)(O))N1CCN(CC1)Cc1ccccc1
ZINC000019372079
ZINC19372079
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