Vitas-M small molecule compound
4-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-methyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Catalog ID
STL571981
SMILES O=c1n(C)nc(c2c1CCCC2)c1ccc(c(c1)S(=O)(=O)N1CCCCCC1)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 C22H29N3O3S MW 415.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O3S/c1-16-11-12-17(15-20(16)29(27,28)25-13-7-3-4-8-14-25)21-18-9-5-6-10-19(18)22(26)24(2)23-21/h11-12,15H,3-10,13-14H2,1-2H3InChIKey
JTJRXBXDVFZXQN-UHFFFAOYSA-NSynonyms
4(3(azepan1ylsulfonyl)4methylphenyl)2methyl5678tetrahydrophthalazin1(2H)one
4(3(azepan1ylsulfonyl)4methylphenyl)2methyl5678tetrahydrophthalazin1one
50751378
InChI=1SC22H29N3O3Sc116111217(1520(16)29(2728)251373481425)21189561019(18)22(26)24(2)2321h111215H3101314H212H3
MFCD27589727
ZINC000046027418
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