Vitas-M small molecule compound
2,3-dihydro-1,4-benzodioxin-6-yl[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]methanone
Catalog ID
STK355339
SMILES COc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C(=O)c1ccc2c(c1)OCCO2
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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 C20H21N3O6 MW 399.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O6/c1-27-15-3-4-16(17(13-15)23(25)26)21-6-8-22(9-7-21)20(24)14-2-5-18-19(12-14)29-11-10-28-18/h2-5,12-13H,6-11H2,1H3InChIKey
OHMVBFOBBXQBSA-UHFFFAOYSA-NSynonyms
23dihydro14benzodioxin6yl(4(4methoxy2nitrophenyl)piperazin1yl)methanone
COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCCO4)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))N1CCN(CC1)C(=O)c1ccc2c(c1)OCCO2
InChI=1SC20H21N3O6c127153416(17(1315)23(25)26)216822(9721)20(24)14251819(1214)2911102818h251213H611H21H3
MFCD05829281
ZINC000005050428
ZINC05050428
ZINC5050428
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