Vitas-M small molecule compound
4-{3-[(4-benzylpiperidin-1-yl)sulfonyl]-4-methylphenyl}phthalazin-1(2H)-one
Catalog ID
STK878042
SMILES O=c1[nH]nc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N1CCC(CC1)Cc1ccccc1)C
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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 C27H27N3O3S MW 473.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3S/c1-19-11-12-22(26-23-9-5-6-10-24(23)27(31)29-28-26)18-25(19)34(32,33)30-15-13-21(14-16-30)17-20-7-3-2-4-8-20/h2-12,18,21H,13-17H2,1H3,(H,29,31)InChIKey
BLZWKBHAJQHZBP-UHFFFAOYSA-NSynonyms
694460-14-54(3((4benzylpiperidin1yl)sulfonyl)4methylphenyl)phthalazin1(2H)one
4(3(4BENZYLPIPERIDIN1YL)SULFONYL4METHYLPHENYL)2HPHTHALAZIN1ONE
694460145
CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N4CCC(CC4)CC5=CC=CC=C5
InChI=1SC27H27N3O3Sc119111222(26239561024(23)27(31)292826)1825(19)34(3233)30151321(141630)17207324820h2121821H1317H21H3(H2931)
MFCD04009496
O=c1(nH)nc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N1CCC(CC1)Cc1ccccc1)C
ZINC000008743701
ZINC08743701
ZINC8743701
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