Vitas-M small molecule compound
methyl 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Catalog ID
STK334548
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=O)/C=C/c1ccc2c(c1)OCO2)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 C22H24N2O6S MW 444.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O6S/c1-5-24(6-2)21(26)19-13(3)18(22(27)28-4)20(31-19)23-17(25)10-8-14-7-9-15-16(11-14)30-12-29-15/h7-11H,5-6,12H2,1-4H3,(H,23,25)/b10-8+InChIKey
QNFCWISMPWSZTO-CSKARUKUSA-NSynonyms
CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=O)C=Cc1ccc2c(c1)OCO2)CC
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)OC)C
InChI=1SC22H24N2O6Sc1524(62)21(26)1913(3)18(22(27)284)20(3119)2317(25)10814791516(1114)30122915h711H5612H214H3(H2325)b108+
methyl2(((2E)3(13benzodioxol5yl)prop2enoyl)amino)5(diethylcarbamoyl)4methylthiophene3carboxylate
METHYL2(((E)3(13BENZODIOXOL5YL)PROP2ENOYL)AMINO)5(DIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL2((2E)3(2HBENZO(34D)13DIOXOLAN5YL)PROP2ENOYLAMINO)5(NNDIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL2((3(13BENZODIOXOL5YL)ACRYLOYL)AMINO)5((DIETHYLAMINO)CARBONYL)4METHYL3THIOPHENECARBOXYLATE
MFCD01349875
ZINC000000996217
ZINC00996217
ZINC996217
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.