Vitas-M small molecule compound
2-{2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]phenyl}-4-phenylphthalazin-1(2H)-one
Catalog ID
STK157756
SMILES O=c1c2ccccc2c(nn1c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1ccccc1)c1ccccc1
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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 C30H25N5O5S MW 567.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N5O5S/c36-30-26-14-8-7-13-25(26)29(22-9-3-1-4-10-22)31-34(30)28-21-23(15-16-27(28)35(37)38)32-17-19-33(20-18-32)41(39,40)24-11-5-2-6-12-24/h1-16,21H,17-20H2InChIKey
WLSHESCFUFXPAQ-UHFFFAOYSA-NSynonyms
2(2NITRO5(4(PHENYLSULFONYL)PIPERAZIN1YL)PHENYL)4PHENYLPHTHALAZIN1(2H)ONE
2(5(4(BENZENESULFONYL)PIPERAZIN1YL)2NITROPHENYL)4PHENYLPHTHALAZIN1ONE
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5)S(=O)(=O)C6=CC=CC=C6
InChI=1SC30H25N5O5Sc36302614871325(26)29(2293141022)3134(30)282123(151627(28)35(37)38)32171933(201832)41(3940)24115261224h11621H1720H2
MFCD03689090
O=c1c2ccccc2c(nn1c1cc(ccc1(N+)(=O)(O))N1CCN(CC1)S(=O)(=O)c1ccccc1)c1ccccc1
ZINC000100317454
ZINC100317454
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