Vitas-M small molecule compound
ethyl 2-[(2,2-dimethylpropanoyl)amino]-5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methylthiophene-3-carboxylate
Catalog ID
STK058737
SMILES CCOC(=O)c1ccc(cc1)NC(=O)c1sc(c(c1C)C(=O)OCC)NC(=O)C(C)(C)C
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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 C23H28N2O6S MW 460.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O6S/c1-7-30-20(27)14-9-11-15(12-10-14)24-18(26)17-13(3)16(21(28)31-8-2)19(32-17)25-22(29)23(4,5)6/h9-12H,7-8H2,1-6H3,(H,24,26)(H,25,29)InChIKey
FFDLEVOKAAGVJV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C(C)(C)C)C(=O)OCC)C
CCOC(=O)c1ccc(cc1)NC(=O)c1sc(c(c1C)C(=O)OCC)NC(=O)C(C)(C)C
ETHYL2((22DIMETHYLPROPANOYL)AMINO)5((4(ETHOXYCARBONYL)ANILINO)CARBONYL)4METHYL3THIOPHENECARBOXYLATE
ETHYL2((22DIMETHYLPROPANOYL)AMINO)5((4(ETHOXYCARBONYL)PHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL2(22DIMETHYLPROPANOYLAMINO)5((4ETHOXYCARBONYLPHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL4((5(22DIMETHYLPROPANOYLAMINO)4(ETHOXYCARBONYL)3METHYL2THIENYL)CARBONYLAMINO)BENZOATE
InChI=1SC23H28N2O6Sc173020(27)1491115(121014)2418(26)1713(3)16(21(28)3182)19(3217)2522(29)23(45)6h912H78H216H3(H2426)(H2529)
MFCD01151704
STK058737
ZINC000000647593
ZINC00647593
ZINC647593
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.