Vitas-M small molecule compound

3-{[(3-chloro-4-methylphenyl)amino]methyl}-5-phenyl-1,3,4-oxadiazole-2(3H)-thione

Catalog ID
STK078886
SMILES Cc1ccc(cc1Cl)NCn1nc(oc1=S)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 C16H14ClN3OS MW 331.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClN3OS/c1-11-7-8-13(9-14(11)17)18-10-20-16(22)21-15(19-20)12-5-3-2-4-6-12/h2-9,18H,10H2,1H3
InChIKey
ZMVKJDJZUDHCIW-UHFFFAOYSA-N
Synonyms

3(((3CHLORO4METHYLPHENYL)AMINO)METHYL)5PHENYL134OXADIAZOLE2(3H)THIONE
3((3CHLORO4METHYLANILINO)METHYL)5PHENYL134OXADIAZOLE2THIONE
CC1=C(C=C(C=C1)NCN2C(=S)OC(=N2)C3=CC=CC=C3)Cl
Cc1ccc(cc1Cl)NCn1nc(oc1=S)c1ccccc1
InChI=1SC16H14ClN3OSc1117813(914(11)17)18102016(22)2115(1920)125324612h2918H10H21H3
MFCD01435831
STK078886
ZINC000004670485
ZINC04670485
ZINC4670485

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Available files

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