Vitas-M small molecule compound
4-(4-chlorophenyl)-2-[2-nitro-5-(4-propanoylpiperazin-1-yl)phenyl]phthalazin-1(2H)-one
Catalog ID
STK157823
SMILES CCC(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(c2ccc(cc2)Cl)c2c(c1=O)cccc2)[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 C27H24ClN5O4 MW 517.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClN5O4/c1-2-25(34)31-15-13-30(14-16-31)20-11-12-23(33(36)37)24(17-20)32-27(35)22-6-4-3-5-21(22)26(29-32)18-7-9-19(28)10-8-18/h3-12,17H,2,13-16H2,1H3InChIKey
BOWHICPQNVOCQS-UHFFFAOYSA-NSynonyms
591736-97-94(4CHLOROPHENYL)2(2NITRO5(4PROPANOYLPIPERAZIN1YL)PHENYL)PHTHALAZIN1(2H)ONE
4(4CHLOROPHENYL)2(2NITRO5(4PROPANOYLPIPERAZIN1YL)PHENYL)PHTHALAZIN1ONE
4(4chlorophenyl)2(2nitro5(4propionylpiperazin1yl)phenyl)phthalazin1(2H)one
591736979
CCC(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(c2ccc(cc2)Cl)c2c(c1=O)cccc2)(N+)(=O)(O)
CCC(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl
InChI=1SC27H24ClN5O4c1225(34)31151330(141631)20111223(33(36)37)24(1720)3227(35)22643521(22)26(2932)187919(28)10818h31217H21316H21H3
MFCD03687886
ZINC000009186785
ZINC09186785
ZINC9186785
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