Vitas-M small molecule compound

2-(5-{4-[(4-ethylphenyl)carbonyl]piperazin-1-yl}-2-nitrophenyl)-4-methylphthalazin-1(2H)-one

Catalog ID
STK171959
SMILES CCc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(C)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 C28H27N5O4 MW 497.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O4/c1-3-20-8-10-21(11-9-20)27(34)31-16-14-30(15-17-31)22-12-13-25(33(36)37)26(18-22)32-28(35)24-7-5-4-6-23(24)19(2)29-32/h4-13,18H,3,14-17H2,1-2H3
InChIKey
KZAJIJDJKWEYCZ-UHFFFAOYSA-N
Synonyms

2(5(4((4ETHYLPHENYL)CARBONYL)PIPERAZIN1YL)2NITROPHENYL)4METHYLPHTHALAZIN1(2H)ONE
2(5(4(4ETHYLBENZOYL)PIPERAZIN1YL)2NITROPHENYL)4METHYLPHTHALAZIN1ONE
CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4C(=O)C5=CC=CC=C5C(=N4)C
CCc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(C)c2c(c1=O)cccc2)(N+)(=O)(O)
InChI=1SC28H27N5O4c132081021(11920)27(34)31161430(151731)22121325(33(36)37)26(1822)3228(35)24754623(24)19(2)2932h41318H31417H212H3
MFCD05992684
ZINC000009891915
ZINC09891915
ZINC9891915

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Available files

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