Vitas-M small molecule compound

4-(4-chlorophenyl)-2-{5-[4-(naphthalen-2-ylsulfonyl)piperazin-1-yl]-2-nitrophenyl}phthalazin-1(2H)-one

Catalog ID
STK155325
SMILES Clc1ccc(cc1)c1nn(c(=O)c2c1cccc2)c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)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 C34H26ClN5O5S MW 652.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H26ClN5O5S/c35-26-12-9-24(10-13-26)33-29-7-3-4-8-30(29)34(41)39(36-33)32-22-27(14-16-31(32)40(42)43)37-17-19-38(20-18-37)46(44,45)28-15-11-23-5-1-2-6-25(23)21-28/h1-16,21-22H,17-20H2
InChIKey
WLWQLVREPALKEE-UHFFFAOYSA-N
Synonyms

4(4CHLOROPHENYL)2(5(4(NAPHTHALEN2YLSULFONYL)PIPERAZIN1YL)2NITROPHENYL)PHTHALAZIN1(2H)ONE
4(4CHLOROPHENYL)2(5(4NAPHTHALEN2YLSULFONYLPIPERAZIN1YL)2NITROPHENYL)PHTHALAZIN1ONE
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl)S(=O)(=O)C6=CC7=CC=CC=C7C=C6
Clc1ccc(cc1)c1nn(c(=O)c2c1cccc2)c1cc(ccc1(N+)(=O)(O))N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cccc2
InChI=1SC34H26ClN5O5Sc352612924(101326)3329734830(29)34(41)39(3633)322227(141631(32)40(42)43)37171938(201837)46(4445)28151123512625(23)2128h1162122H1720H2
MFCD03687359
ZINC000150346195
ZINC150346195

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Available files

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