Vitas-M small molecule compound
4-(4-chlorophenyl)-2-[5-(4-ethylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1(2H)-one
Catalog ID
STK171978
SMILES CCN1CCN(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 C26H24ClN5O3 MW 489.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN5O3/c1-2-29-13-15-30(16-14-29)20-11-12-23(32(34)35)24(17-20)31-26(33)22-6-4-3-5-21(22)25(28-31)18-7-9-19(27)10-8-18/h3-12,17H,2,13-16H2,1H3InChIKey
NTYAFQMQKICMGZ-UHFFFAOYSA-NSynonyms
4(4CHLOROPHENYL)2(5(4ETHYLPIPERAZIN1YL)2NITROPHENYL)PHTHALAZIN1(2H)ONE
4(4CHLOROPHENYL)2(5(4ETHYLPIPERAZIN1YL)2NITROPHENYL)PHTHALAZIN1ONE
CCN1CCN(CC1)c1ccc(c(c1)n1nc(c2ccc(cc2)Cl)c2c(c1=O)cccc2)(N+)(=O)(O)
CCN1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl
InChI=1SC26H24ClN5O3c1229131530(161429)20111223(32(34)35)24(1720)3126(33)22643521(22)25(2831)187919(27)10818h31217H21316H21H3
MFCD05794943
ZINC000009891920
ZINC9891920
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