Vitas-M small molecule compound

methyl 2-{[2-(2,4-dichlorophenoxy)propanoyl]amino}-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

Catalog ID
STK450625
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=O)C(Oc1ccc(cc1Cl)Cl)C)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 C21H24Cl2N2O5S MW 487.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24Cl2N2O5S/c1-6-25(7-2)20(27)17-11(3)16(21(28)29-5)19(31-17)24-18(26)12(4)30-15-9-8-13(22)10-14(15)23/h8-10,12H,6-7H2,1-5H3,(H,24,26)
InChIKey
YYXPJMMDHFJKJG-UHFFFAOYSA-N
Synonyms

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl)C(=O)OC)C
InChI=1SC21H24Cl2N2O5Sc1625(72)20(27)1711(3)16(21(28)295)19(3117)2418(26)12(4)30159813(22)1014(15)23h81012H67H215H3(H2426)
METHYL2(((2R)2(24DICHLOROPHENOXY)PROPANOYL)AMINO)5(DIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL2((2(24DICHLOROPHENOXY)PROPANOYL)AMINO)5((DIETHYLAMINO)CARBONYL)4METHYL3THIOPHENECARBOXYLATE
methyl2((2(24dichlorophenoxy)propanoyl)amino)5(diethylcarbamoyl)4methylthiophene3carboxylate
METHYL2(2(24DICHLOROPHENOXY)PROPANAMIDO)5(DIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL2(2(24DICHLOROPHENOXY)PROPANOYLAMINO)5(DIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL2(2(24DICHLOROPHENOXY)PROPANOYLAMINO)5(NNDIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD01358299
ZINC000000997524
ZINC000000997525

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Available files

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