Vitas-M small molecule compound

ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-4-methyl-2-[(3-phenylpropanoyl)amino]thiophene-3-carboxylate

Catalog ID
STK051304
SMILES CCOC(=O)c1c(NC(=O)CCc2ccccc2)sc(c1C)C(=O)Nc1ccc(c(c1)Cl)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 C25H25ClN2O4S MW 485.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN2O4S/c1-4-32-25(31)21-16(3)22(23(30)27-18-12-10-15(2)19(26)14-18)33-24(21)28-20(29)13-11-17-8-6-5-7-9-17/h5-10,12,14H,4,11,13H2,1-3H3,(H,27,30)(H,28,29)
InChIKey
AJDYUEHNWQTVSN-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=C(C=C2)C)Cl)NC(=O)CCC3=CC=CC=C3
CCOC(=O)c1c(NC(=O)CCc2ccccc2)sc(c1C)C(=O)Nc1ccc(c(c1)Cl)C
ETHYL5((3CHLORO4METHYLPHENYL)CARBAMOYL)4METHYL2((3PHENYLPROPANOYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL5((3CHLORO4METHYLPHENYL)CARBAMOYL)4METHYL2(3PHENYLPROPANOYLAMINO)THIOPHENE3CARBOXYLATE
ETHYL5(N(3CHLORO4METHYLPHENYL)CARBAMOYL)4METHYL2(3PHENYLPROPANOYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC25H25ClN2O4Sc143225(31)2116(3)22(23(30)2718121015(2)19(26)1418)3324(21)2820(29)1311178657917h5101214H41113H213H3(H2730)(H2829)
MFCD02627428
STK051304
ZINC000002772172
ZINC02772172
ZINC2772172

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Available files

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