Vitas-M small molecule compound

2-(benzylamino)-N-(4-butylphenyl)-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbothioamide

Catalog ID
STK034303
SMILES CCCCc1ccc(cc1)NC(=S)C1=C(NCc2ccccc2)CC(CC1=O)(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 C26H32N2OS MW 420.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2OS/c1-4-5-9-19-12-14-21(15-13-19)28-25(30)24-22(16-26(2,3)17-23(24)29)27-18-20-10-7-6-8-11-20/h6-8,10-15,27H,4-5,9,16-18H2,1-3H3,(H,28,30)
InChIKey
LEKWNWOPBGHHAL-UHFFFAOYSA-N
Synonyms

2(((4BUTYLPHENYL)AMINO)THIOXOMETHYL)55DIMETHYL3(BENZYLAMINO)CYCLOHEX2EN1ONE
2(BENZYLAMINO)N(4BUTYLPHENYL)44DIMETHYL6OXOCYCLOHEX1ENE1CARBOTHIOAMIDE
2(BENZYLAMINO)N(4BUTYLPHENYL)44DIMETHYL6OXOCYCLOHEXENE1CARBOTHIOAMIDE
CCCCC1=CC=C(C=C1)NC(=S)C2=C(CC(CC2=O)(C)C)NCC3=CC=CC=C3
CCCCc1ccc(cc1)NC(=S)C1=C(NCc2ccccc2)CC(CC1=O)(C)C
InChI=1SC26H32N2OSc145919121421(151319)2825(30)2422(1626(23)1723(24)29)271820107681120h68101527H4591618H213H3(H2830)
MFCD03194619
STK034303
ZINC000100425216
ZINC100425216

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Available files

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