Vitas-M small molecule compound
1-{4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl}-2-phenylethanone
Catalog ID
STK777251
SMILES O=C(N1CCN(CC1)c1cc(N2CCCCCC2)c(cc1[N+](=O)[O-])F)Cc1ccccc1
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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 C24H29FN4O3 MW 440.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29FN4O3/c25-20-17-23(29(31)32)22(18-21(20)26-10-6-1-2-7-11-26)27-12-14-28(15-13-27)24(30)16-19-8-4-3-5-9-19/h3-5,8-9,17-18H,1-2,6-7,10-16H2InChIKey
AGKQGQYKDSLSDN-UHFFFAOYSA-NSynonyms
1(4(5(azepan1yl)4fluoro2nitrophenyl)piperazin1yl)2phenylethanone
C1CCCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)(N+)(=O)(O))F
InChI=1SC24H29FN4O3c25201723(29(31)32)22(1821(20)261061271126)27121428(151327)24(30)16198435919h35891718H12671016H2
MFCD05260241
O=C(N1CCN(CC1)c1cc(N2CCCCCC2)c(cc1(N+)(=O)(O))F)Cc1ccccc1
ZINC000012376204
ZINC12376204
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