Vitas-M small molecule compound
methyl 5-(diethylcarbamoyl)-4-methyl-2-{[(2E)-3-(4-methylphenyl)prop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STK446726
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=O)/C=C/c1ccc(cc1)C)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 C22H26N2O4S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O4S/c1-6-24(7-2)21(26)19-15(4)18(22(27)28-5)20(29-19)23-17(25)13-12-16-10-8-14(3)9-11-16/h8-13H,6-7H2,1-5H3,(H,23,25)/b13-12+InChIKey
DPAWWTIBZQQECY-OUKQBFOZSA-NSynonyms
CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=O)C=Cc1ccc(cc1)C)CC
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC=C(C=C2)C)C(=O)OC)C
InChI=1SC22H26N2O4Sc1624(72)21(26)1915(4)18(22(27)285)20(2919)2317(25)13121610814(3)91116h813H67H215H3(H2325)b1312+
METHYL2((2E)3(4METHYLPHENYL)PROP2ENOYLAMINO)5(NNDIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL5((DIETHYLAMINO)CARBONYL)4METHYL2((3(4METHYLPHENYL)ACRYLOYL)AMINO)3THIOPHENECARBOXYLATE
methyl5(diethylcarbamoyl)4methyl2(((2E)3(4methylphenyl)prop2enoyl)amino)thiophene3carboxylate
METHYL5(DIETHYLCARBAMOYL)4METHYL2(((E)3(4METHYLPHENYL)PROP2ENOYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD01348604
ZINC000000995899
ZINC00995899
ZINC995899
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.