Vitas-M small molecule compound
ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-4-methylthiophene-3-carboxylate
Catalog ID
STK080932
SMILES CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc(c1C)C(=O)Nc1ccccc1C(=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 C26H24N2O8S MW 524.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O8S/c1-4-33-25(31)16-8-6-7-9-17(16)27-23(30)21-14(3)20(26(32)34-5-2)24(37-21)28-22(29)15-10-11-18-19(12-15)36-13-35-18/h6-12H,4-5,13H2,1-3H3,(H,27,30)(H,28,29)InChIKey
OLLITPARCCLUHA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)OCC)C
CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc(c1C)C(=O)Nc1ccccc1C(=O)OCC
ETHYL2((13BENZODIOXOL5YLCARBONYL)AMINO)5((2(ETHOXYCARBONYL)PHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL2((5(2HBENZO(34D)13DIOXOLAN5YLCARBONYLAMINO)4(ETHOXYCARBONYL)3METHYL2THIENYL)CARBONYLAMINO)BENZOATE
ETHYL2(13BENZODIOXOLE5CARBONYLAMINO)5((2ETHOXYCARBONYLPHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC26H24N2O8Sc143325(31)16867917(16)2723(30)2114(3)20(26(32)3452)24(3721)2822(29)1510111819(1215)36133518h612H4513H213H3(H2730)(H2829)
MFCD01975546
STK080932
ZINC000002757504
ZINC2757504
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.