Vitas-M small molecule compound
2-(5-{4-[(3,4-dimethoxyphenyl)sulfonyl]piperazin-1-yl}-2-nitrophenyl)-4-methylphthalazin-1(2H)-one
Catalog ID
STK172056
SMILES COc1cc(ccc1OC)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 C27H27N5O7S MW 565.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O7S/c1-18-21-6-4-5-7-22(21)27(33)31(28-18)24-16-19(8-10-23(24)32(34)35)29-12-14-30(15-13-29)40(36,37)20-9-11-25(38-2)26(17-20)39-3/h4-11,16-17H,12-15H2,1-3H3InChIKey
UPJBVKYXNKTSCL-UHFFFAOYSA-NSynonyms
2(5(4((34DIMETHOXYPHENYL)SULFONYL)PIPERAZIN1YL)2NITROPHENYL)4METHYLPHTHALAZIN1(2H)ONE
2(5(4((34DIMETHOXYPHENYL)SULFONYL)PIPERAZINYL)2NITROPHENYL)4METHYL2HYDROPHTHALAZIN1ONE
2(5(4(34DIMETHOXYPHENYL)SULFONYLPIPERAZIN1YL)2NITROPHENYL)4METHYLPHTHALAZIN1ONE
CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)OC)OC)(N+)(=O)(O)
COc1cc(ccc1OC)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(C)c2c(c1=O)cccc2)(N+)(=O)(O)
InChI=1SC27H27N5O7Sc11821645722(21)27(33)31(2818)241619(81023(24)32(34)35)29121430(151329)40(3637)2091125(382)26(1720)393h4111617H1215H213H3
MFCD05661689
ZINC000004125141
ZINC4125141
Check stock
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Check stock on Vitas-MAvailable files
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