Vitas-M small molecule compound

methyl 2-[(azepan-1-ylacetyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate

Catalog ID
STK482388
SMILES COC(=O)c1c(NC(=O)CN2CCCCCC2)sc(c1C)C(=O)N(C)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 C18H27N3O4S MW 381.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H27N3O4S/c1-12-14(18(24)25-4)16(26-15(12)17(23)20(2)3)19-13(22)11-21-9-7-5-6-8-10-21/h5-11H2,1-4H3,(H,19,22)
InChIKey
DEBOQQMWKVBZQA-UHFFFAOYSA-N
Synonyms

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCCCCC2)C(=O)N(C)C
InChI=1SC18H27N3O4Sc11214(18(24)254)16(2615(12)17(23)20(2)3)1913(22)1121975681021h511H214H3(H1922)
METHYL2((2(AZEPAN1YL)ACETYL)AMINO)5(DIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
methyl2((azepan1ylacetyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
METHYL2(2AZAPERHYDROEPINYLACETYLAMINO)5(NNDIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD07095179
ZINC000006741920
ZINC6741920

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Available files

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