Vitas-M small molecule compound
3-{[4-(3-chloro-4-methylphenyl)piperazin-1-yl]carbonyl}-8-methoxy-6-nitro-2H-chromen-2-one
Catalog ID
STK773842
SMILES COc1cc(cc2c1oc(=O)c(c2)C(=O)N1CCN(CC1)c1ccc(c(c1)Cl)C)[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 C22H20ClN3O6 MW 457.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O6/c1-13-3-4-15(11-18(13)23)24-5-7-25(8-6-24)21(27)17-10-14-9-16(26(29)30)12-19(31-2)20(14)32-22(17)28/h3-4,9-12H,5-8H2,1-2H3InChIKey
ZWVUMROGKKDYCX-UHFFFAOYSA-NSynonyms
3((4(3chloro4methylphenyl)piperazin1yl)carbonyl)8methoxy6nitro2Hchromen2one
3(4(3CHLORO4METHYLPHENYL)PIPERAZINE1CARBONYL)8METHOXY6NITROCHROMEN2ONE
CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=CC(=CC(=C4OC3=O)OC)(N+)(=O)(O))Cl
COc1cc(cc2c1oc(=O)c(c2)C(=O)N1CCN(CC1)c1ccc(c(c1)Cl)C)(N+)(=O)(O)
InChI=1SC22H20ClN3O6c1133415(1118(13)23)245725(8624)21(27)171014916(26(29)30)1219(312)20(14)3222(17)28h34912H58H212H3
MFCD03855732
ZINC000001080866
ZINC01080866
ZINC1080866
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