Vitas-M small molecule compound
dimethyl 5-{[(1,3-benzodioxol-5-ylmethyl)carbamothioyl]amino}-3-methylthiophene-2,4-dicarboxylate
Catalog ID
STK458198
SMILES COC(=O)c1c(NC(=S)NCc2ccc3c(c2)OCO3)sc(c1C)C(=O)OC
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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 C18H18N2O6S2 MW 422.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O6S2/c1-9-13(16(21)23-2)15(28-14(9)17(22)24-3)20-18(27)19-7-10-4-5-11-12(6-10)26-8-25-11/h4-6H,7-8H2,1-3H3,(H2,19,20,27)InChIKey
CASVBRRQZDWODY-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)OC
dimethyl5(((13benzodioxol5ylmethyl)carbamothioyl)amino)3methylthiophene24dicarboxylate
DIMETHYL5(13BENZODIOXOL5YLMETHYLCARBAMOTHIOYLAMINO)3METHYLTHIOPHENE24DICARBOXYLATE
InChI=1SC18H18N2O6S2c1913(16(21)232)15(2814(9)17(22)243)2018(27)19710451112(610)2682511h46H78H213H3(H2192027)
METHYL2((((2HBENZO(34D)13DIOXOLEN5YLMETHYL)AMINO)THIOXOMETHYL)AMINO)5(METHOXYCARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD05062070
ZINC000002859142
ZINC02859142
ZINC2859142
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