Vitas-M small molecule compound
propan-2-yl 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Catalog ID
STK446890
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC(C)C)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 C24H28N2O6S MW 472.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O6S/c1-6-26(7-2)23(28)21-15(5)20(24(29)32-14(3)4)22(33-21)25-19(27)11-9-16-8-10-17-18(12-16)31-13-30-17/h8-12,14H,6-7,13H2,1-5H3,(H,25,27)/b11-9+InChIKey
XXSZMBZMKHJPGA-PKNBQFBNSA-NSynonyms
CCN(C(=O)c1sc(c(c1C)C(=O)OC(C)C)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)C)C
InChI=1SC24H28N2O6Sc1626(72)23(28)2115(5)20(24(29)3214(3)4)22(3321)2519(27)119168101718(1216)31133017h81214H6713H215H3(H2527)b119+
METHYLETHYL2((2E)3(2HBENZO(34D)13DIOXOLAN5YL)PROP2ENOYLAMINO)5(NNDIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD01348587
propan2yl2(((2E)3(13benzodioxol5yl)prop2enoyl)amino)5(diethylcarbamoyl)4methylthiophene3carboxylate
PROPAN2YL2(((E)3(13BENZODIOXOL5YL)PROP2ENOYL)AMINO)5(DIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ZINC000000995949
ZINC00995949
ZINC995949
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.