Vitas-M small molecule compound
3-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonyl}-8-methoxy-6-nitro-2H-chromen-2-one
Catalog ID
STK782180
SMILES COc1cc(cc2c1oc(=O)c(c2)C(=O)N1CCN(CC1)C(=O)c1ccco1)[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 C20H17N3O8 MW 427.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O8/c1-29-16-11-13(23(27)28)9-12-10-14(20(26)31-17(12)16)18(24)21-4-6-22(7-5-21)19(25)15-3-2-8-30-15/h2-3,8-11H,4-7H2,1H3InChIKey
GUMLWFGIYCPIPG-UHFFFAOYSA-NSynonyms
3((4(furan2ylcarbonyl)piperazin1yl)carbonyl)8methoxy6nitro2Hchromen2one
3(4(FURAN2CARBONYL)PIPERAZINE1CARBONYL)8METHOXY6NITROCHROMEN2ONE
COC1=C2C(=CC(=C1)(N+)(=O)(O))C=C(C(=O)O2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4
COc1cc(cc2c1oc(=O)c(c2)C(=O)N1CCN(CC1)C(=O)c1ccco1)(N+)(=O)(O)
InChI=1SC20H17N3O8c129161113(23(27)28)9121014(20(26)3117(12)16)18(24)214622(7521)19(25)153283015h23811H47H21H3
MFCD06005813
ZINC000001058985
ZINC01058985
ZINC1058985
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