Vitas-M small molecule compound
4-[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-4-ethylphenyl]-2-methyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Catalog ID
STL572066
SMILES CCc1ccc(cc1S(=O)(=O)N1CCc2c(C1)cccc2)c1nn(C)c(=O)c2c1CCCC2
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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 C26H29N3O3S MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O3S/c1-3-18-12-13-20(25-22-10-6-7-11-23(22)26(30)28(2)27-25)16-24(18)33(31,32)29-15-14-19-8-4-5-9-21(19)17-29/h4-5,8-9,12-13,16H,3,6-7,10-11,14-15,17H2,1-2H3InChIKey
BXDHBPTZKQKSJA-UHFFFAOYSA-NSynonyms
4(3(34dihydro1Hisoquinolin2ylsulfonyl)4ethylphenyl)2methyl5678tetrahydrophthalazin1one
4(3(34dihydroisoquinolin2(1H)ylsulfonyl)4ethylphenyl)2methyl5678tetrahydrophthalazin1(2H)one
50751226
InChI=1SC26H29N3O3Sc1318121320(252210671123(22)26(30)28(2)2725)1624(18)33(3132)29151419845921(19)1729h4589121316H3671011141517H212H3
MFCD14859581
ZINC000044803377
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