Vitas-M small molecule compound

ethyl 2-{[(4-bromophenyl)carbonyl]amino}-5-[(3-chlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate

Catalog ID
STK037791
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cc2)Br)sc(c1C)C(=O)Nc1cccc(c1)Cl

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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 C22H18BrClN2O4S MW 521.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrClN2O4S/c1-3-30-22(29)17-12(2)18(20(28)25-16-6-4-5-15(24)11-16)31-21(17)26-19(27)13-7-9-14(23)10-8-13/h4-11H,3H2,1-2H3,(H,25,28)(H,26,27)
InChIKey
PMYOCWBSPNPMJN-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=CC=C2)Cl)NC(=O)C3=CC=C(C=C3)Br
CCOC(=O)c1c(NC(=O)c2ccc(cc2)Br)sc(c1C)C(=O)Nc1cccc(c1)Cl
ETHYL2(((4BROMOPHENYL)CARBONYL)AMINO)5((3CHLOROPHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL2((4BROMOBENZOYL)AMINO)5((3CHLOROANILINO)CARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL2((4BROMOBENZOYL)AMINO)5((3CHLOROPHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL2((4BROMOPHENYL)CARBONYLAMINO)5(N(3CHLOROPHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC22H18BrClN2O4Sc133022(29)1712(2)18(20(28)251664515(24)1116)3121(17)2619(27)137914(23)10813h411H3H212H3(H2528)(H2627)
MFCD01130413
STK037791
ZINC000002059177
ZINC02059177
ZINC2059177

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Available files

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