Vitas-M small molecule compound
3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl}-8-methoxy-6-nitro-2H-chromen-2-one
Catalog ID
STK773574
SMILES COc1cc(cc2c1oc(=O)c(c2)C(=O)N1CCN(CC1)c1cccc(c1C)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 C23H23N3O6 MW 437.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O6/c1-14-5-4-6-19(15(14)2)24-7-9-25(10-8-24)22(27)18-12-16-11-17(26(29)30)13-20(31-3)21(16)32-23(18)28/h4-6,11-13H,7-10H2,1-3H3InChIKey
KGJWXVQDGVJLCR-UHFFFAOYSA-NSynonyms
3((4(23dimethylphenyl)piperazin1yl)carbonyl)8methoxy6nitro2Hchromen2one
3(4(23DIMETHYLPHENYL)PIPERAZINE1CARBONYL)8METHOXY6NITROCHROMEN2ONE
CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC(=CC(=C4OC3=O)OC)(N+)(=O)(O))C
COc1cc(cc2c1oc(=O)c(c2)C(=O)N1CCN(CC1)c1cccc(c1C)C)(N+)(=O)(O)
InChI=1SC23H23N3O6c11454619(15(14)2)247925(10824)22(27)1812161117(26(29)30)1320(313)21(16)3223(18)28h461113H710H213H3
MFCD03855127
ZINC000000811025
ZINC00811025
ZINC811025
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