Vitas-M small molecule compound
1-benzofuran-2-yl{4-[3-(ethylamino)-4-nitrophenyl]piperazin-1-yl}methanone
Catalog ID
STK198648
SMILES CCNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)c1cc2c(o1)cccc2
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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 C21H22N4O4 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4/c1-2-22-17-14-16(7-8-18(17)25(27)28)23-9-11-24(12-10-23)21(26)20-13-15-5-3-4-6-19(15)29-20/h3-8,13-14,22H,2,9-12H2,1H3InChIKey
FZGPNMNKXIFXGS-UHFFFAOYSA-NSynonyms
1BENZOFURAN2YL(4(3(ETHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)METHANONE
CCNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3)(N+)(=O)(O)
CCNc1cc(ccc1(N+)(=O)(O))N1CCN(CC1)C(=O)c1cc2c(o1)cccc2
InChI=1SC21H22N4O4c1222171416(7818(17)25(27)28)2391124(121023)21(26)201315534619(15)2920h38131422H2912H21H3
MFCD05826417
ZINC000004739203
ZINC04739203
ZINC4739203
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