Vitas-M small molecule compound
4-(4-ethylphenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1(2H)-one
Catalog ID
STK672874
SMILES CCc1ccc(cc1)c1nn(c(=O)c2c1cccc2)c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C
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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 C27H27N5O3 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O3/c1-3-19-8-10-20(11-9-19)26-22-6-4-5-7-23(22)27(33)31(28-26)25-18-21(12-13-24(25)32(34)35)30-16-14-29(2)15-17-30/h4-13,18H,3,14-17H2,1-2H3InChIKey
FUKREDAQHYDGEJ-UHFFFAOYSA-NSynonyms
4(4ethylphenyl)2(5(4methylpiperazin1yl)2nitrophenyl)phthalazin1(2H)one
4(4ETHYLPHENYL)2(5(4METHYLPIPERAZIN1YL)2NITROPHENYL)PHTHALAZIN1ONE
CCC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCN(CC5)C)(N+)(=O)(O)
CCc1ccc(cc1)c1nn(c(=O)c2c1cccc2)c1cc(ccc1(N+)(=O)(O))N1CCN(CC1)C
InChI=1SC27H27N5O3c131981020(11919)2622645723(22)27(33)31(2826)251821(121324(25)32(34)35)30161429(2)151730h41318H31417H212H3
MFCD00758145
ZINC000008809696
ZINC8809696
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