Vitas-M small molecule compound
1-(azepan-1-yl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STL354309
SMILES O=C(N1CCCCCC1)CSc1nnc(n1C)c1ccncc1
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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 C16H21N5OS MW 331.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N5OS/c1-20-15(13-6-8-17-9-7-13)18-19-16(20)23-12-14(22)21-10-4-2-3-5-11-21/h6-9H,2-5,10-12H2,1H3InChIKey
BGQMMUSLHZVTAF-UHFFFAOYSA-NSynonyms
1(azepan1yl)2((4methyl5(pyridin4yl)4H124triazol3yl)sulfanyl)ethanone
1(AZEPAN1YL)2((4METHYL5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)ETHANONE
CN1C(=NN=C1SCC(=O)N2CCCCCC2)C3=CC=NC=C3
InChI=1SC16H21N5OSc12015(1368179713)181916(20)231214(22)211042351121h69H251012H21H3
MFCD04346871
ZINC000000619959
ZINC00619959
ZINC619959
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