Vitas-M small molecule compound
3-{[4-(3-chlorophenyl)piperazin-1-yl]carbonyl}-8-methoxy-6-nitro-2H-chromen-2-one
Catalog ID
STK776970
SMILES COc1cc(cc2c1oc(=O)c(c2)C(=O)N1CCN(CC1)c1cccc(c1)Cl)[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 C21H18ClN3O6 MW 443.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O6/c1-30-18-12-16(25(28)29)9-13-10-17(21(27)31-19(13)18)20(26)24-7-5-23(6-8-24)15-4-2-3-14(22)11-15/h2-4,9-12H,5-8H2,1H3InChIKey
OAXZEWXIMHYGTH-UHFFFAOYSA-NSynonyms
695218-60-13((4(3chlorophenyl)piperazin1yl)carbonyl)8methoxy6nitro2Hchromen2one
3(4(3CHLOROPHENYL)PIPERAZINE1CARBONYL)8METHOXY6NITRO2HCHROMEN2ONE
3(4(3CHLOROPHENYL)PIPERAZINE1CARBONYL)8METHOXY6NITROCHROMEN2ONE
695218601
COC1=C2C(=CC(=C1)(N+)(=O)(O))C=C(C(=O)O2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl
COc1cc(cc2c1oc(=O)c(c2)C(=O)N1CCN(CC1)c1cccc(c1)Cl)(N+)(=O)(O)
InChI=1SC21H18ClN3O6c130181216(25(28)29)9131017(21(27)3119(13)18)20(26)247523(6824)1542314(22)1115h24912H58H21H3
MFCD05259815
ZINC000001424340
ZINC01424340
ZINC1424340
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