Vitas-M small molecule compound

2-({5-(dimethylcarbamoyl)-4-methyl-3-[(propan-2-yloxy)carbonyl]thiophen-2-yl}carbamoyl)cyclohexanecarboxylic acid

Catalog ID
STK451500
SMILES CC(OC(=O)c1c(NC(=O)C2CCCCC2C(=O)O)sc(c1C)C(=O)N(C)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 C20H28N2O6S MW 424.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N2O6S/c1-10(2)28-20(27)14-11(3)15(18(24)22(4)5)29-17(14)21-16(23)12-8-6-7-9-13(12)19(25)26/h10,12-13H,6-9H2,1-5H3,(H,21,23)(H,25,26)
InChIKey
GZICANRPHQGORW-UHFFFAOYSA-N
Synonyms

2((5(dimethylcarbamoyl)4methyl3((propan2yloxy)carbonyl)thiophen2yl)carbamoyl)cyclohexanecarboxylicacid
2((5(DIMETHYLCARBAMOYL)4METHYL3PROPAN2YLOXYCARBONYLTHIOPHEN2YL)CARBAMOYL)CYCLOHEXANE1CARBOXYLICACID
2(N(5(NNDIMETHYLCARBAMOYL)4METHYL3((METHYLETHYL)OXYCARBONYL)2THIENYL)CARBAMOYL)CYCLOHEXANECARBOXYLICACID
CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2CCCCC2C(=O)O)C(=O)N(C)C
InChI=1SC20H28N2O6Sc110(2)2820(27)1411(3)15(18(24)22(4)5)2917(14)2116(23)12867913(12)19(25)26h101213H69H215H3(H2123)(H2526)
MFCD02254456
ZINC000002760200
ZINC000002760203

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Available files

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