Vitas-M small molecule compound

2-{5-[(3,4-dichlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine

Catalog ID
STL048439
SMILES NCCc1nnc(o1)SCc1ccc(c(c1)Cl)Cl

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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 C11H11Cl2N3OS MW 304.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11Cl2N3OS/c12-8-2-1-7(5-9(8)13)6-18-11-16-15-10(17-11)3-4-14/h1-2,5H,3-4,6,14H2
InChIKey
XMJQCRIKEWXETR-UHFFFAOYSA-N
Synonyms

2(5((34dichlorobenzyl)sulfanyl)134oxadiazol2yl)ethanamine
2(5((34dichlorobenzyl)thio)134oxadiazol2yl)ethanaminehydrochloride
2(5((34DICHLOROPHENYL)METHYLSULFANYL)134OXADIAZOL2YL)ETHANAMINE
C1=CC(=C(C=C1CSC2=NN=C(O2)CCN)Cl)Cl
InChI=1SC11H11Cl2N3OSc128217(59(8)13)61811161510(1711)3414h125H34614H2
MFCD04026016
NCCc1nnc(o1)SCc1ccc(c(c1)Cl)ClCl
ZINC000005091351
ZINC5091351

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Available files

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