Vitas-M small molecule compound
diethyl 5-[(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)amino]-3-methylthiophene-2,4-dicarboxylate
Catalog ID
STK456975
SMILES CCOC(=O)c1c(NC(=S)Nc2ccc3c(c2)OCCO3)sc(c1C)C(=O)OCC
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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 C20H22N2O6S2 MW 450.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O6S2/c1-4-25-18(23)15-11(3)16(19(24)26-5-2)30-17(15)22-20(29)21-12-6-7-13-14(10-12)28-9-8-27-13/h6-7,10H,4-5,8-9H2,1-3H3,(H2,21,22,29)InChIKey
DLSYJJBAEGHQAZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC3=C(C=C2)OCCO3
diethyl5((23dihydro14benzodioxin6ylcarbamothioyl)amino)3methylthiophene24dicarboxylate
DIETHYL5(23DIHYDRO14BENZODIOXIN6YLCARBAMOTHIOYLAMINO)3METHYLTHIOPHENE24DICARBOXYLATE
ETHYL2(((2H3HBENZO(34E)14DIOXAN6YLAMINO)THIOXOMETHYL)AMINO)5(ETHOXYCARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC20H22N2O6S2c142518(23)1511(3)16(19(24)2652)3017(15)2220(29)2112671314(1012)28982713h6710H4589H213H3(H2212229)
MFCD04136967
ZINC000002855757
ZINC02855757
ZINC2855757
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