Vitas-M small molecule compound

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

Catalog ID
STK449748
SMILES S=C(Nc1ccccc1C)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/c1-13-7-5-6-8-17(13)22-20(26)24-23-19(25)16-12-27-18-11-14(21(2,3)4)9-10-15(16)18/h5-8,12,14H,9-11H2,1-4H3,(H,23,25)(H2,22,24,26)
InChIKey
QALPUJFURZYEJB-UHFFFAOYSA-N
Synonyms

1((6tertbutyl4567tetrahydro1benzothiophene3carbonyl)amino)3(2methylphenyl)thiourea
2((6tertbutyl4567tetrahydro1benzothiophen3yl)carbonyl)N(2methylphenyl)hydrazinecarbothioamide
CC1=CC=CC=C1NC(=S)NNC(=O)C2=CSC3=C2CCC(C3)C(C)(C)C
InChI=1SC21H27N3OS2c113756817(13)2220(26)242319(25)161227181114(21(23)4)91015(16)18h581214H911H214H3(H2325)(H2222426)
MFCD03467300
ZINC000002771844
ZINC000002771845

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Available files

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