Vitas-M small molecule compound

Catalog ID
STK581288
SMILES CCC([C@@H](c1nnc(o1)SCc1ccccc1Cl)N)C

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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 C14H18ClN3OS MW 311.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18ClN3OS/c1-3-9(2)12(16)13-17-18-14(19-13)20-8-10-6-4-5-7-11(10)15/h4-7,9,12H,3,8,16H2,1-2H3/t9?,12-/m0/s1
InChIKey
YKWYPUOJRTWQQQ-ACGXKRRESA-N
Synonyms

(1S)1(5((2chlorophenyl)methylsulfanyl)134oxadiazol2yl)2methylbutan1amine
(1S2R)1(5((2chlorobenzyl)thio)134oxadiazol2yl)2methylbutan1aminehydrochloride
CCC((C@@H)(c1nnc(o1)SCc1ccccc1Cl)N)C
CCC((C@@H)(c1nnc(o1)SCc1ccccc1Cl)N)CCl
CCC(C)C(C1=NN=C(O1)SCC2=CC=CC=C2Cl)N
InChI=1SC14H18ClN3OSc139(2)12(16)13171814(1913)20810645711(10)15h47912H3816H212H3t9?12m0s1
MFCD04029183
ZINC000005119460
ZINC000008039278

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Available files

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