Vitas-M small molecule compound
3-{[4-(4-ethylphenyl)piperazin-1-yl]carbonyl}-6-nitro-2H-chromen-2-one
Catalog ID
STK779899
SMILES CCc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2oc1=O)[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 C22H21N3O5 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5/c1-2-15-3-5-17(6-4-15)23-9-11-24(12-10-23)21(26)19-14-16-13-18(25(28)29)7-8-20(16)30-22(19)27/h3-8,13-14H,2,9-12H2,1H3InChIKey
FTVSFPUCQLHUMH-UHFFFAOYSA-NSynonyms
3((4(4ethylphenyl)piperazin1yl)carbonyl)6nitro2Hchromen2one
3(4(4ETHYLPHENYL)PIPERAZINE1CARBONYL)6NITROCHROMEN2ONE
CCC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=CC(=C4)(N+)(=O)(O))OC3=O
CCc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2oc1=O)(N+)(=O)(O)
InChI=1SC22H21N3O5c12153517(6415)2391124(121023)21(26)1914161318(25(28)29)7820(16)3022(19)27h381314H2912H21H3
MFCD05859450
ZINC000001430419
ZINC01430419
ZINC1430419
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