Vitas-M small molecule compound
2-(5-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-2-nitrophenyl)-4-methylphthalazin-1(2H)-one
Catalog ID
STK198630
SMILES Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(C)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 C25H22BrN5O5S MW 584.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrN5O5S/c1-17-21-4-2-3-5-22(21)25(32)30(27-17)24-16-19(8-11-23(24)31(33)34)28-12-14-29(15-13-28)37(35,36)20-9-6-18(26)7-10-20/h2-11,16H,12-15H2,1H3InChIKey
CSENQOXTSCYSOB-UHFFFAOYSA-NSynonyms
2(5(4((4BROMOPHENYL)SULFONYL)PIPERAZIN1YL)2NITROPHENYL)4METHYLPHTHALAZIN1(2H)ONE
2(5(4(4BROMOPHENYL)SULFONYLPIPERAZIN1YL)2NITROPHENYL)4METHYLPHTHALAZIN1ONE
Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(C)c2c(c1=O)cccc2)(N+)(=O)(O)
CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Br)(N+)(=O)(O)
InChI=1SC25H22BrN5O5Sc11721423522(21)25(32)30(2717)241619(81123(24)31(33)34)28121429(151328)37(3536)209618(26)71020h21116H1215H21H3
MFCD06093806
ZINC000059617223
ZINC59617223
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