Vitas-M small molecule compound
3-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Catalog ID
STL240631
SMILES O=C1Nc2ccccc2CCC1Sc1nnc(n1C)c1cnccn1
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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 C17H16N6OS MW 352.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N6OS/c1-23-15(13-10-18-8-9-19-13)21-22-17(23)25-14-7-6-11-4-2-3-5-12(11)20-16(14)24/h2-5,8-10,14H,6-7H2,1H3,(H,20,24)InChIKey
UYQKRVZHFYRMDD-UHFFFAOYSA-NSynonyms
1040704-78-61040704786
3((4methyl5(pyrazin2yl)4H124triazol3yl)sulfanyl)1345tetrahydro2H1benzazepin2one
3((4methyl5(pyrazin2yl)4H124triazol3yl)thio)45dihydro1Hbenzo(b)azepin2(3H)one
3((4methyl5pyrazin2yl124triazol3yl)sulfanyl)1345tetrahydro1benzazepin2one
CN1C(=NN=C1SC2CCC3=CC=CC=C3NC2=O)C4=NC=CN=C4
InChI=1SC17H16N6OSc12315(131018891913)212217(23)25147611423512(11)2016(14)24h2581014H67H21H3(H2024)
MFCD12205749
ZINC000020717818
ZINC000020717822
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