Vitas-M small molecule compound
N-(4-cyanophenyl)-2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STL365481
SMILES N#Cc1ccc(cc1)NC(=O)CSc1nnc(n1C)C(N1C(=O)COc2c1cccc2)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 C22H20N6O3S MW 448.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N6O3S/c1-14(28-17-5-3-4-6-18(17)31-12-20(28)30)21-25-26-22(27(21)2)32-13-19(29)24-16-9-7-15(11-23)8-10-16/h3-10,14H,12-13H2,1-2H3,(H,24,29)InChIKey
NGOBIQPTXDUBDO-UHFFFAOYSA-NSynonyms
CC(C1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)C#N)N3C(=O)COC4=CC=CC=C43
InChI=1SC22H20N6O3Sc114(2817534618(17)311220(28)30)21252622(27(21)2)321319(29)24169715(1123)81016h31014H1213H212H3(H2429)
MFCD09476294
N(4cyanophenyl)2((4methyl5(1(3oxo14benzoxazin4yl)ethyl)124triazol3yl)sulfanyl)acetamide
N(4cyanophenyl)2((4methyl5(1(3oxo23dihydro4H14benzoxazin4yl)ethyl)4H124triazol3yl)sulfanyl)acetamide
ZINC000015019040
ZINC000015019041
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