Vitas-M small molecule compound

5-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-oxadiazol-2-yl)pentan-1-amine

Catalog ID
STK573118
SMILES NCCCCCc1nnc(o1)SC/C=C/c1ccccc1

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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/c17-12-6-2-5-11-15-18-19-16(20-15)21-13-7-10-14-8-3-1-4-9-14/h1,3-4,7-10H,2,5-6,11-13,17H2/b10-7+
InChIKey
NCBBLXRUHOSPCC-JXMROGBWSA-N
Synonyms

(E)5(5(cinnamylthio)134oxadiazol2yl)pentan1aminehydrochloride
5(5(((2E)3phenylprop2en1yl)sulfanyl)134oxadiazol2yl)pentan1amine
5(5(((E)3PHENYLPROP2ENYL)THIO)134OXADIAZOL2YL)1PENTANAMINEHYDROCHLORIDE
5(5(((E)CINNAMYL)THIO)134OXADIAZOL2YL)PENTYLAMINEHYDROCHLORIDE
5(5((E)3PHENYLPROP2ENYL)SULFANYL134OXADIAZOL2YL)PENTAN1AMINE
5(5((E)3PHENYLPROP2ENYL)SULFANYL134OXADIAZOL2YL)PENTAN1AMINEHYDROCHLORIDE
C1=CC=C(C=C1)C=CCSC2=NN=C(O2)CCCCCN
InChI=1SC16H21N3OSc17126251115181916(2015)2113710148314914h134710H256111317H2b107+
MFCD04024839
NCCCCCc1nnc(o1)SCC=Cc1ccccc1
NCCCCCc1nnc(o1)SCC=Cc1ccccc1Cl
ZINC000002370847
ZINC2370847

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Available files

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