Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)amino]-N-(4-butylphenyl)-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbothioamide
Catalog ID
STK033539
SMILES CCCCc1ccc(cc1)NC(=S)C1=C(NCc2ccc3c(c2)OCO3)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 C27H32N2O3S MW 464.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O3S/c1-4-5-6-18-7-10-20(11-8-18)29-26(33)25-21(14-27(2,3)15-22(25)30)28-16-19-9-12-23-24(13-19)32-17-31-23/h7-13,28H,4-6,14-17H2,1-3H3,(H,29,33)InChIKey
GUYLWIUCGHLFBY-UHFFFAOYSA-NSynonyms
2((13BENZODIOXOL5YLMETHYL)AMINO)N(4BUTYLPHENYL)44DIMETHYL6OXOCYCLOHEX1ENE1CARBOTHIOAMIDE
2(13BENZODIOXOL5YLMETHYLAMINO)N(4BUTYLPHENYL)44DIMETHYL6OXOCYCLOHEXENE1CARBOTHIOAMIDE
3((2HBENZO(34D)13DIOXOLEN5YLMETHYL)AMINO)2(((4BUTYLPHENYL)AMINO)THIOXOMETHYL)55DIMETHYLCYCLOHEX2EN1ONE
CCCCC1=CC=C(C=C1)NC(=S)C2=C(CC(CC2=O)(C)C)NCC3=CC4=C(C=C3)OCO4
CCCCc1ccc(cc1)NC(=S)C1=C(NCc2ccc3c(c2)OCO3)CC(CC1=O)(C)C
InChI=1SC27H32N2O3Sc14561871020(11818)2926(33)2521(1427(23)1522(25)30)2816199122324(1319)32173123h71328H461417H213H3(H2933)
MFCD03194621
STK033539
ZINC000100425221
ZINC100425221
Check stock
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Check stock on Vitas-MAvailable files
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