Vitas-M small molecule compound

ethyl 5-acetyl-4-methyl-2-({2,2,2-trichloro-1-[(phenylacetyl)amino]ethyl}amino)thiophene-3-carboxylate

Catalog ID
STK809820
SMILES CCOC(=O)c1c(NC(C(Cl)(Cl)Cl)NC(=O)Cc2ccccc2)sc(c1C)C(=O)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 C20H21Cl3N2O4S MW 491.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21Cl3N2O4S/c1-4-29-18(28)15-11(2)16(12(3)26)30-17(15)25-19(20(21,22)23)24-14(27)10-13-8-6-5-7-9-13/h5-9,19,25H,4,10H2,1-3H3,(H,24,27)
InChIKey
YYQJOUIXMDLWKK-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(C(Cl)(Cl)Cl)NC(=O)CC2=CC=CC=C2
ETHYL5ACETYL4METHYL2((222TRICHLORO1((2PHENYLACETYL)AMINO)ETHYL)AMINO)THIOPHENE3CARBOXYLATE
ethyl5acetyl4methyl2((222trichloro1((phenylacetyl)amino)ethyl)amino)thiophene3carboxylate
InChI=1SC20H21Cl3N2O4Sc142918(28)1511(2)16(12(3)26)3017(15)2519(20(2122)23)2414(27)10138657913h591925H410H213H3(H2427)
MFCD00616034
ZINC000001452643
ZINC000001452644

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Available files

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