Vitas-M small molecule compound

diethyl 5-{[(2-{[(2-bromobenzyl)sulfanyl]acetyl}hydrazinyl)carbonothioyl]amino}-3-methylthiophene-2,4-dicarboxylate

Catalog ID
STK456965
SMILES CCOC(=O)c1c(NC(=S)NNC(=O)CSCc2ccccc2Br)sc(c1C)C(=O)OCC

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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 C21H24BrN3O5S3 MW 574.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24BrN3O5S3/c1-4-29-19(27)16-12(3)17(20(28)30-5-2)33-18(16)23-21(31)25-24-15(26)11-32-10-13-8-6-7-9-14(13)22/h6-9H,4-5,10-11H2,1-3H3,(H,24,26)(H2,23,25,31)
InChIKey
DBLYXWWFWSXOSU-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NNC(=O)CSCC2=CC=CC=C2Br
diethyl5(((2(((2bromobenzyl)sulfanyl)acetyl)hydrazinyl)carbonothioyl)amino)3methylthiophene24dicarboxylate
DIETHYL5(((2((2BROMOPHENYL)METHYLSULFANYL)ACETYL)AMINO)CARBAMOTHIOYLAMINO)3METHYLTHIOPHENE24DICARBOXYLATE
ETHYL2((((2((2BROMOPHENYL)METHYLTHIO)ACETYLAMINO)AMINO)THIOXOMETHYL)AMINO)5(ETHOXYCARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC21H24BrN3O5S3c142919(27)1612(3)17(20(28)3052)3318(16)2321(31)252415(26)11321013867914(13)22h69H451011H213H3(H2426)(H2232531)
MFCD04265590
ZINC000059602971
ZINC59602971

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Available files

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