Vitas-M small molecule compound

N-(4-chlorophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide

Catalog ID
STL112155
SMILES O=C(Nc1ccc(cc1)Cl)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 C15H17ClN4OS MW 336.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17ClN4OS/c16-11-5-7-12(8-6-11)17-14(21)10-22-15-19-18-13-4-2-1-3-9-20(13)15/h5-8H,1-4,9-10H2,(H,17,21)
InChIKey
NQVPXVLWMLVJER-UHFFFAOYSA-N
Synonyms

2(5H6H7H8H9H124TRIAZOLO(45A)AZAPERHYDROEPIN3YLTHIO)N(4CHLOROPHENYL)ACETAMIDE
C1CCC2=NN=C(N2CC1)SCC(=O)NC3=CC=C(C=C3)Cl
InChI=1SC15H17ClN4OSc16115712(8611)1714(21)1022151918134213920(13)15h58H14910H2(H1721)
MFCD02660192
N(4chlorophenyl)2(6789tetrahydro5H(124)triazolo(43a)azepin3ylsulfanyl)acetamide
ZINC000006098296
ZINC06098296
ZINC6098296

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.