Vitas-M small molecule compound

methyl 2-{[(2-chlorophenoxy)acetyl]amino}-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

Catalog ID
STK423696
SMILES COC(=O)c1c(NC(=O)COc2ccccc2Cl)sc(c1C)C(=O)Nc1ccccc1OC

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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 C23H21ClN2O6S MW 488.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN2O6S/c1-13-19(23(29)31-3)22(26-18(27)12-32-16-10-6-4-8-14(16)24)33-20(13)21(28)25-15-9-5-7-11-17(15)30-2/h4-11H,12H2,1-3H3,(H,25,28)(H,26,27)
InChIKey
XQDJWKAGOVWAJG-UHFFFAOYSA-N
Synonyms

CC1=C(SC(=C1C(=O)OC)NC(=O)COC2=CC=CC=C2Cl)C(=O)NC3=CC=CC=C3OC
InChI=1SC23H21ClN2O6Sc11319(23(29)313)22(2618(27)1232161064814(16)24)3320(13)21(28)25159571117(15)302h411H12H213H3(H2528)(H2627)
methyl2(((2chlorophenoxy)acetyl)amino)5((2methoxyphenyl)carbamoyl)4methylthiophene3carboxylate
METHYL2((2(2CHLOROPHENOXY)ACETYL)AMINO)5((2METHOXYPHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL2(2(2CHLOROPHENOXY)ACETYLAMINO)5(N(2METHOXYPHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD02176357
ZINC000002759111
ZINC02759111
ZINC2759111

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Available files

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