Vitas-M small molecule compound
4-{4-[cyclohexyl(methyl)amino]-3-nitrophenyl}phthalazin-1(2H)-one
Catalog ID
STK796060
SMILES CN(c1ccc(cc1[N+](=O)[O-])c1n[nH]c(=O)c2c1cccc2)C1CCCCC1
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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 C21H22N4O3 MW 378.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3/c1-24(15-7-3-2-4-8-15)18-12-11-14(13-19(18)25(27)28)20-16-9-5-6-10-17(16)21(26)23-22-20/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,23,26)InChIKey
UDALQZNWPGRGDW-UHFFFAOYSA-NSynonyms
674337-79-24(4(CYCLOHEXYL(METHYL)AMINO)3NITROPHENYL)2HPHTHALAZIN1ONE
4(4(cyclohexyl(methyl)amino)3nitrophenyl)phthalazin1(2H)one
674337792
CN(c1ccc(cc1(N+)(=O)(O))c1n(nH)c(=O)c2c1cccc2)C1CCCCC1
CN(C1CCCCC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)(N+)(=O)(O)
InChI=1SC21H22N4O3c124(157324815)18121114(1319(18)25(27)28)20169561017(16)21(26)232220h5691315H2478H21H3(H2326)
MFCD04015109
ZINC000005026350
ZINC05026350
ZINC5026350
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