Vitas-M small molecule compound

N-benzyl-2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]hydrazinecarbothioamide

Catalog ID
STK449774
SMILES S=C(NCc1ccccc1)NNC(=O)c1csc2c1CCC(C2)C(C)(C)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 C21H27N3OS2 MW 401.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3OS2/c1-21(2,3)15-9-10-16-17(13-27-18(16)11-15)19(25)23-24-20(26)22-12-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,23,25)(H2,22,24,26)
InChIKey
LAFHIMPMYIAGOW-UHFFFAOYSA-N
Synonyms

1benzyl3((6tertbutyl4567tetrahydro1benzothiophene3carbonyl)amino)thiourea
CC(C)(C)C1CCC2=C(C1)SC=C2C(=O)NNC(=S)NCC3=CC=CC=C3
InChI=1SC21H27N3OS2c121(23)159101617(132718(16)1115)19(25)232420(26)2212147546814h481315H912H213H3(H2325)(H2222426)
MFCD03468077
Nbenzyl2((6tertbutyl4567tetrahydro1benzothiophen3yl)carbonyl)hydrazinecarbothioamide
ZINC000002731750
ZINC000002731751

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Available files

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