Vitas-M small molecule compound
2-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}-3-chloronaphthalene-1,4-dione
Catalog ID
STK158086
SMILES [O-][N+](=O)c1ccc(cc1NCc1ccccc1)N1CCN(CC1)C1=C(Cl)C(=O)c2c(C1=O)cccc2
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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 C27H23ClN4O4 MW 502.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN4O4/c28-24-25(27(34)21-9-5-4-8-20(21)26(24)33)31-14-12-30(13-15-31)19-10-11-23(32(35)36)22(16-19)29-17-18-6-2-1-3-7-18/h1-11,16,29H,12-15,17H2InChIKey
NAWFHXNZTBPIRJ-UHFFFAOYSA-NSynonyms
592466-66-5(O)(N+)(=O)c1ccc(cc1NCc1ccccc1)N1CCN(CC1)C1=C(Cl)C(=O)c2c(C1=O)cccc2
2(4(3(BENZYLAMINO)4NITROPHENYL)PIPERAZIN1YL)3CHLORONAPHTHALENE14DIONE
592466665
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))NCC3=CC=CC=C3)C4=C(C(=O)C5=CC=CC=C5C4=O)Cl
InChI=1SC27H23ClN4O4c282425(27(34)21954820(21)26(24)33)31141230(131531)19101123(32(35)36)22(1619)2917186213718h1111629H121517H2
MFCD03694345
ZINC000009315703
ZINC09315703
ZINC9315703
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