Vitas-M small molecule compound
3-{[4-(4-ethylphenyl)piperazin-1-yl]carbonyl}-8-methoxy-6-nitro-2H-chromen-2-one
Catalog ID
STK774855
SMILES CCc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(cc(c2oc1=O)OC)[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 C23H23N3O6 MW 437.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O6/c1-3-15-4-6-17(7-5-15)24-8-10-25(11-9-24)22(27)19-13-16-12-18(26(29)30)14-20(31-2)21(16)32-23(19)28/h4-7,12-14H,3,8-11H2,1-2H3InChIKey
HGTMBDACTGEOFN-UHFFFAOYSA-NSynonyms
3((4(4ethylphenyl)piperazin1yl)carbonyl)8methoxy6nitro2Hchromen2one
3(4(4ETHYLPHENYL)PIPERAZINE1CARBONYL)8METHOXY6NITROCHROMEN2ONE
CCC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=CC(=CC(=C4OC3=O)OC)(N+)(=O)(O)
CCc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(cc(c2oc1=O)OC)(N+)(=O)(O)
InChI=1SC23H23N3O6c13154617(7515)2481025(11924)22(27)1913161218(26(29)30)1420(312)21(16)3223(19)28h471214H3811H212H3
MFCD04061424
ZINC000001421075
ZINC01421075
ZINC1421075
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