Vitas-M small molecule compound

ethyl 5-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-2-{[(2-methoxyphenyl)carbonyl]amino}-4-methylthiophene-3-carboxylate

Catalog ID
STK060403
SMILES CCOC(=O)c1c(sc(c1C)C(=O)Nc1ccccc1C(=O)OCC)NC(=O)c1ccccc1OC

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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 C26H26N2O7S MW 510.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O7S/c1-5-34-25(31)16-11-7-9-13-18(16)27-23(30)21-15(3)20(26(32)35-6-2)24(36-21)28-22(29)17-12-8-10-14-19(17)33-4/h7-14H,5-6H2,1-4H3,(H,27,30)(H,28,29)
InChIKey
GTYNKHYRSACPHT-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC=CC=C3OC)C(=O)OCC)C
CCOC(=O)c1c(sc(c1C)C(=O)Nc1ccccc1C(=O)OCC)NC(=O)c1ccccc1OC
ETHYL2((4(ETHOXYCARBONYL)5((2METHOXYPHENYL)CARBONYLAMINO)3METHYL2THIENYL)CARBONYLAMINO)BENZOATE
ETHYL5((2(ETHOXYCARBONYL)PHENYL)CARBAMOYL)2(((2METHOXYPHENYL)CARBONYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL5((2ETHOXYCARBONYLPHENYL)CARBAMOYL)2((2METHOXYBENZOYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC26H26N2O7Sc153425(31)1611791318(16)2723(30)2115(3)20(26(32)3562)24(3621)2822(29)17128101419(17)334h714H56H214H3(H2730)(H2829)
MFCD02104496
STK060403
ZINC000008861620
ZINC08861620
ZINC8861620

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Available files

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