Vitas-M small molecule compound
3-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Catalog ID
STK658245
SMILES O=C1Nc2ccccc2CCC1Sc1nnc(n1C)Cc1ccccc1
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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 C20H20N4OS MW 364.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4OS/c1-24-18(13-14-7-3-2-4-8-14)22-23-20(24)26-17-12-11-15-9-5-6-10-16(15)21-19(17)25/h2-10,17H,11-13H2,1H3,(H,21,25)InChIKey
KMPOCGRUSUWQNV-UHFFFAOYSA-NSynonyms
1040704-28-61040704286
3((5benzyl4methyl124triazol3yl)sulfanyl)1345tetrahydro1benzazepin2one
3((5benzyl4methyl4H124triazol3yl)sulfanyl)1345tetrahydro2H1benzazepin2one
3((5benzyl4methyl4H124triazol3yl)thio)45dihydro1Hbenzo(b)azepin2(3H)one
CN1C(=NN=C1SC2CCC3=CC=CC=C3NC2=O)CC4=CC=CC=C4
InChI=1SC20H20N4OSc12418(13147324814)222320(24)26171211159561016(15)2119(17)25h21017H1113H21H3(H2125)
MFCD12214406
ZINC000032093503
ZINC000032093505
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