Vitas-M small molecule compound

methyl 2-[(3-cyclopentylpropanoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

Catalog ID
STK439492
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=O)CCC1CCCC1)CC

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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 C20H30N2O4S MW 394.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H30N2O4S/c1-5-22(6-2)19(24)17-13(3)16(20(25)26-4)18(27-17)21-15(23)12-11-14-9-7-8-10-14/h14H,5-12H2,1-4H3,(H,21,23)
InChIKey
VKHQMYKZEFABHI-UHFFFAOYSA-N
Synonyms

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CCC2CCCC2)C(=O)OC)C
InChI=1SC20H30N2O4Sc1522(62)19(24)1713(3)16(20(25)264)18(2717)2115(23)1211149781014h14H512H214H3(H2123)
methyl2((3cyclopentylpropanoyl)amino)5(diethylcarbamoyl)4methylthiophene3carboxylate
METHYL2(3CYCLOPENTYLPROPANOYLAMINO)5(DIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL5(NNDIETHYLCARBAMOYL)2(3CYCLOPENTYLPROPANOYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD03366810
ZINC000002747013
ZINC02747013
ZINC2747013

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Available files

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