Vitas-M small molecule compound

Catalog ID
STK592332
SMILES CCC([C@@H](c1nnc(o1)SC/C=C/c1ccccc1)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 C16H21N3OS MW 303.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3OS/c1-3-12(2)14(17)15-18-19-16(20-15)21-11-7-10-13-8-5-4-6-9-13/h4-10,12,14H,3,11,17H2,1-2H3/b10-7+/t12?,14-/m0/s1
InChIKey
VIEBUZXMVFCQDC-MXHXQBAHSA-N
Synonyms

(1S)2methyl1(5((E)3phenylprop2enyl)sulfanyl134oxadiazol2yl)butan1amine
(1S2R)1(5(cinnamylthio)134oxadiazol2yl)2methylbutan1aminehydrochloride
CCC((C@@H)(c1nnc(o1)SCC=Cc1ccccc1)N)C
CCC((C@@H)(c1nnc(o1)SCC=Cc1ccccc1)N)CCl
CCC(C)C(C1=NN=C(O1)SCC=CC2=CC=CC=C2)N
InChI=1SC16H21N3OSc1312(2)14(17)15181916(2015)2111710138546913h4101214H31117H212H3b107+t12?14m0s1
MFCD04028433
ZINC000002384264
ZINC000006440755

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Available files

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