Vitas-M small molecule compound
N-(4-butylphenyl)-4,4-dimethyl-6-oxo-2-[(2-phenylethyl)amino]cyclohex-1-ene-1-carbothioamide
Catalog ID
STK028199
SMILES CCCCc1ccc(cc1)NC(=S)C1=C(NCCc2ccccc2)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 C27H34N2OS MW 434.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2OS/c1-4-5-9-21-12-14-22(15-13-21)29-26(31)25-23(18-27(2,3)19-24(25)30)28-17-16-20-10-7-6-8-11-20/h6-8,10-15,28H,4-5,9,16-19H2,1-3H3,(H,29,31)InChIKey
KDJNWARNECYWNB-UHFFFAOYSA-NSynonyms
2(((4BUTYLPHENYL)AMINO)THIOXOMETHYL)55DIMETHYL3((2PHENYLETHYL)AMINO)CYCLOHEX2EN1ONE
CCCCC1=CC=C(C=C1)NC(=S)C2=C(CC(CC2=O)(C)C)NCCC3=CC=CC=C3
CCCCc1ccc(cc1)NC(=S)C1=C(NCCc2ccccc2)CC(CC1=O)(C)C
InChI=1SC27H34N2OSc145921121422(151321)2926(31)2523(1827(23)1924(25)30)28171620107681120h68101528H4591619H213H3(H2931)
MFCD03488781
N(4BUTYLPHENYL)44DIMETHYL6OXO2((2PHENYLETHYL)AMINO)CYCLOHEX1ENE1CARBOTHIOAMIDE
N(4butylphenyl)44dimethyl6oxo2(2phenylethylamino)cyclohexene1carbothioamide
N(4BUTYLPHENYL)44DIMETHYL6OXO2(PHENETHYLAMINO)CYCLOHEXENE1CARBOTHIOAMIDE
STK028199
ZINC000002368885
ZINC02368885
ZINC2368885
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