Vitas-M small molecule compound
4-methyl-2-{2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]phenyl}phthalazin-1(2H)-one
Catalog ID
STK157489
SMILES Cc1nn(c2cc(ccc2[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)c2ccccc2)c(=O)c2c1cccc2
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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 C25H23N5O5S MW 505.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O5S/c1-18-21-9-5-6-10-22(21)25(31)29(26-18)24-17-19(11-12-23(24)30(32)33)27-13-15-28(16-14-27)36(34,35)20-7-3-2-4-8-20/h2-12,17H,13-16H2,1H3InChIKey
QZQIAMKURPQJNC-UHFFFAOYSA-NSynonyms
2(5(4(BENZENESULFONYL)PIPERAZIN1YL)2NITROPHENYL)4METHYLPHTHALAZIN1ONE
4METHYL2(2NITRO5(4(PHENYLSULFONYL)PIPERAZIN1YL)PHENYL)PHTHALAZIN1(2H)ONE
CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5)(N+)(=O)(O)
Cc1nn(c2cc(ccc2(N+)(=O)(O))N2CCN(CC2)S(=O)(=O)c2ccccc2)c(=O)c2c1cccc2
InChI=1SC25H23N5O5Sc118219561022(21)25(31)29(2618)241719(111223(24)30(32)33)27131528(161427)36(3435)207324820h21217H1316H21H3
MFCD03614906
ZINC000009720905
ZINC09720905
ZINC9720905
Check stock
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