Vitas-M small molecule compound
N-[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl]-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
Catalog ID
STK101978
SMILES O=C(CSc1nnc[nH]1)NCc1cc(ccc1C)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 C21H20N6O2S MW 420.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6O2S/c1-13-7-8-14(19-16-5-3-4-6-17(16)20(29)27(2)26-19)9-15(13)10-22-18(28)11-30-21-23-12-24-25-21/h3-9,12H,10-11H2,1-2H3,(H,22,28)(H,23,24,25)InChIKey
KNPWZKDMWFOXBU-UHFFFAOYSA-NSynonyms
695200-53-42((4H124triazol3yl)thio)N(2methyl5(3methyl4oxo34dihydrophthalazin1yl)benzyl)acetamide
695200534
CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CNC(=O)CSC4=NC=NN4
InChI=1SC21H20N6O2Sc1137814(1916534617(16)20(29)27(2)2619)915(13)102218(28)1130212312242521h3912H1011H212H3(H2228)(H232425)
MFCD03855584
N((2METHYL5(3METHYL4OXOPHTHALAZIN1YL)PHENYL)METHYL)2(1H124TRIAZOL5YLSULFANYL)ACETAMIDE
N(2METHYL5(3METHYL4OXO34DIHYDROPHTHALAZIN1YL)BENZYL)2(4H124TRIAZOL3YLSULFANYL)ACETAMIDE
O=C(CSc1nnc(nH)1)NCc1cc(ccc1C)c1nn(C)c(=O)c2c1cccc2
ZINC000001080786
ZINC01080786
ZINC1080786
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