Vitas-M small molecule compound
2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Catalog ID
STK770187
SMILES O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc2n1CCCCC2
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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 C16H17F3N4OS MW 370.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17F3N4OS/c17-16(18,19)11-5-4-6-12(9-11)20-14(24)10-25-15-22-21-13-7-2-1-3-8-23(13)15/h4-6,9H,1-3,7-8,10H2,(H,20,24)InChIKey
JXWNLPBCADTXNR-UHFFFAOYSA-NSynonyms
2(6789tetrahydro5H(124)triazolo(43a)azepin3ylsulfanyl)N(3(trifluoromethyl)phenyl)acetamide
C1CCC2=NN=C(N2CC1)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI=1SC16H17F3N4OSc1716(1819)1154612(911)2014(24)1025152221137213823(13)15h469H137810H2(H2024)
MFCD03459727
ZINC000003622874
ZINC03622874
ZINC3622874
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