Vitas-M small molecule compound

ethyl 5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-2-{[(4-methylphenyl)carbonyl]amino}thiophene-3-carboxylate

Catalog ID
STK375670
SMILES CCOC(=O)c1c(sc(c1C)C(=O)Nc1ccc(cc1)C(=O)OCC)NC(=O)c1ccc(cc1)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 C26H26N2O6S MW 494.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O6S/c1-5-33-25(31)18-11-13-19(14-12-18)27-23(30)21-16(4)20(26(32)34-6-2)24(35-21)28-22(29)17-9-7-15(3)8-10-17/h7-14H,5-6H2,1-4H3,(H,27,30)(H,28,29)
InChIKey
BTXQUQAOJXMHJU-UHFFFAOYSA-N
Synonyms
303141-27-7
303141277
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC=C(C=C3)C)C(=O)OCC)C
ETHYL4((4(ETHOXYCARBONYL)3METHYL5((4METHYLPHENYL)CARBONYLAMINO)2THIENYL)CARBONYLAMINO)BENZOATE
ETHYL5((4(ETHOXYCARBONYL)ANILINO)CARBONYL)4METHYL2((4METHYLBENZOYL)AMINO)3THIOPHENECARBOXYLATE
ethyl5((4(ethoxycarbonyl)phenyl)carbamoyl)4methyl2(((4methylphenyl)carbonyl)amino)thiophene3carboxylate
ETHYL5((4ETHOXYCARBONYLPHENYL)CARBAMOYL)4METHYL2((4METHYLBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC26H26N2O6Sc153325(31)18111319(141218)2723(30)2116(4)20(26(32)3462)24(3521)2822(29)179715(3)81017h714H56H214H3(H2730)(H2829)
MFCD01151608
ZINC000000994391
ZINC00994391
ZINC994391

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.