Vitas-M small molecule compound

2-{[(4-methylbenzyl)sulfanyl]acetyl}-N-(naphthalen-1-yl)hydrazinecarbothioamide

Catalog ID
STK445959
SMILES O=C(NNC(=S)Nc1cccc2c1cccc2)CSCc1ccc(cc1)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 C21H21N3OS2 MW 395.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3OS2/c1-15-9-11-16(12-10-15)13-27-14-20(25)23-24-21(26)22-19-8-4-6-17-5-2-3-7-18(17)19/h2-12H,13-14H2,1H3,(H,23,25)(H2,22,24,26)
InChIKey
PKZSAOZWVZRQCG-UHFFFAOYSA-N
Synonyms

1((2((4methylphenyl)methylsulfanyl)acetyl)amino)3naphthalen1ylthiourea
2(((4methylbenzyl)sulfanyl)acetyl)N(naphthalen1yl)hydrazinecarbothioamide
2((4METHYLPHENYL)METHYLTHIO)N(((NAPHTHYLAMINO)THIOXOMETHYL)AMINO)ACETAMIDE
CC1=CC=C(C=C1)CSCC(=O)NNC(=S)NC2=CC=CC3=CC=CC=C32
InChI=1SC21H21N3OS2c11591116(121015)13271420(25)232421(26)221984617523718(17)19h212H1314H21H3(H2325)(H2222426)
MFCD04058352
ZINC000006400720
ZINC06400720
ZINC6400720

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Available files

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