Vitas-M small molecule compound
methyl 5-(diethylcarbamoyl)-2-[(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)amino]-4-methylthiophene-3-carboxylate
Catalog ID
STK456173
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=S)Nc1ccc2c(c1)OCCO2)CC
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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 C21H25N3O5S2 MW 463.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O5S2/c1-5-24(6-2)19(25)17-12(3)16(20(26)27-4)18(31-17)23-21(30)22-13-7-8-14-15(11-13)29-10-9-28-14/h7-8,11H,5-6,9-10H2,1-4H3,(H2,22,23,30)InChIKey
NDFXINHZHMPWRR-UHFFFAOYSA-NSynonyms
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC3=C(C=C2)OCCO3)C(=O)OC)C
InChI=1SC21H25N3O5S2c1524(62)19(25)1712(3)16(20(26)274)18(3117)2321(30)2213781415(1113)291092814h7811H56910H214H3(H2222330)
METHYL2(((2H3HBENZO(34E)14DIOXAN6YLAMINO)THIOXOMETHYL)AMINO)5(NNDIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
methyl5(diethylcarbamoyl)2((23dihydro14benzodioxin6ylcarbamothioyl)amino)4methylthiophene3carboxylate
METHYL5(DIETHYLCARBAMOYL)2(23DIHYDRO14BENZODIOXIN6YLCARBAMOTHIOYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD04137509
ZINC000001120042
ZINC01120042
ZINC1120042
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