Vitas-M small molecule compound

N-(1,3-benzodioxol-5-yl)-4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-amine

Catalog ID
STK061945
SMILES CN1CCN(CC1)S(=O)(=O)c1cc(ccc1C)c1nnc(c2c1cccc2)Nc1ccc2c(c1)OCO2

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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 C27H27N5O4S MW 517.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O4S/c1-18-7-8-19(15-25(18)37(33,34)32-13-11-31(2)12-14-32)26-21-5-3-4-6-22(21)27(30-29-26)28-20-9-10-23-24(16-20)36-17-35-23/h3-10,15-16H,11-14,17H2,1-2H3,(H,28,30)
InChIKey
RWOWHAMOIPXVCQ-UHFFFAOYSA-N
Synonyms
371137-57-4
CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5)S(=O)(=O)N6CCN(CC6)C
CN1CCN(CC1)S(=O)(=O)c1cc(ccc1C)c1nnc(c2c1cccc2)Nc1ccc2c(c1)OCO2
InChI=1SC27H27N5O4Sc1187819(1525(18)37(3334)32131131(2)121432)2621534622(21)27(302926)28209102324(1620)36173523h3101516H111417H212H3(H2830)
MFCD03008779
N((1E)4(4METHYL3((4METHYLPIPERAZIN1YL)SULFONYL)PHENYL)PHTHALAZIN1(2H)YLIDENE)13BENZODIOXOL5AMINE
N(13BENZODIOXOL5YL)4(4METHYL3((4METHYLPIPERAZIN1YL)SULFONYL)PHENYL)PHTHALAZIN1AMINE
N(13BENZODIOXOL5YL)4(4METHYL3(4METHYLPIPERAZIN1YL)SULFONYLPHENYL)PHTHALAZIN1AMINE
N(benzo(d)(13)dioxol5yl)4(4methyl3((4methylpiperazin1yl)sulfonyl)phenyl)phthalazin1amine
STK061945
ZINC000017146857
ZINC17146857

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Available files

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