Vitas-M small molecule compound

Catalog ID
STK599287
SMILES CCC([C@@H](c1nnc(o1)SCc1c(Cl)cccc1Cl)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 C14H17Cl2N3OS MW 346.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17Cl2N3OS/c1-3-8(2)12(17)13-18-19-14(20-13)21-7-9-10(15)5-4-6-11(9)16/h4-6,8,12H,3,7,17H2,1-2H3/t8?,12-/m0/s1
InChIKey
RKOXCMNGTUCVHV-MYIOLCAUSA-N
Synonyms

(1S)1(5((26dichlorophenyl)methylsulfanyl)134oxadiazol2yl)2methylbutan1amine
(1S2R)1(5((26dichlorobenzyl)thio)134oxadiazol2yl)2methylbutan1aminehydrochloride
CCC((C@@H)(c1nnc(o1)SCc1c(Cl)cccc1Cl)N)C
CCC((C@@H)(c1nnc(o1)SCc1c(Cl)cccc1Cl)N)CCl
CCC(C)C(C1=NN=C(O1)SCC2=C(C=CC=C2Cl)Cl)N
InChI=1SC14H17Cl2N3OSc138(2)12(17)13181914(2013)217910(15)54611(9)16h46812H3717H212H3t8?12m0s1
MFCD04030432
ZINC000005123783
ZINC000006934304

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Available files

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