Vitas-M small molecule compound

N-(4-butylphenyl)-2-{[(2-methylbenzyl)sulfanyl]acetyl}hydrazinecarbothioamide

Catalog ID
STK445361
SMILES CCCCc1ccc(cc1)NC(=S)NNC(=O)CSCc1ccccc1C

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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 C21H27N3OS2 MW 401.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3OS2/c1-3-4-8-17-10-12-19(13-11-17)22-21(26)24-23-20(25)15-27-14-18-9-6-5-7-16(18)2/h5-7,9-13H,3-4,8,14-15H2,1-2H3,(H,23,25)(H2,22,24,26)
InChIKey
DLFINZKHJVNIAP-UHFFFAOYSA-N
Synonyms

1(4butylphenyl)3((2((2methylphenyl)methylsulfanyl)acetyl)amino)thiourea
CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CSCC2=CC=CC=C2C
InChI=1SC21H27N3OS2c134817101219(131117)2221(26)242320(25)15271418965716(18)2h57913H3481415H212H3(H2325)(H2222426)
MFCD04058054
N((((4BUTYLPHENYL)AMINO)THIOXOMETHYL)AMINO)2((2METHYLPHENYL)METHYLTHIO)ACETAMIDE
N(4butylphenyl)2(((2methylbenzyl)sulfanyl)acetyl)hydrazinecarbothioamide
ZINC000006390586
ZINC06390586
ZINC6390586

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Available files

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