Vitas-M small molecule compound

ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[(furan-2-ylcarbonyl)amino]-4-methylthiophene-3-carboxylate

Catalog ID
STK047683
SMILES CCOC(=O)c1c(sc(c1C)C(=O)Nc1ccc(c(c1)Cl)C)NC(=O)c1ccco1

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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 C21H19ClN2O5S MW 446.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O5S/c1-4-28-21(27)16-12(3)17(19(26)23-13-8-7-11(2)14(22)10-13)30-20(16)24-18(25)15-6-5-9-29-15/h5-10H,4H2,1-3H3,(H,23,26)(H,24,25)
InChIKey
XZBONOJZEFJXDF-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=C(C=C2)C)Cl)NC(=O)C3=CC=CO3
CCOC(=O)c1c(sc(c1C)C(=O)Nc1ccc(c(c1)Cl)C)NC(=O)c1ccco1
ETHYL5((3CHLORO4METHYLPHENYL)CARBAMOYL)2((FURAN2YLCARBONYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL5((3CHLORO4METHYLPHENYL)CARBAMOYL)2(FURAN2CARBONYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL5(N(3CHLORO4METHYLPHENYL)CARBAMOYL)2(2FURYLCARBONYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC21H19ClN2O5Sc142821(27)1612(3)17(19(26)23138711(2)14(22)1013)3020(16)2418(25)156592915h510H4H213H3(H2326)(H2425)
MFCD02627403
STK047683
ZINC000000863399
ZINC00863399
ZINC863399

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Available files

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