Vitas-M small molecule compound

dimethyl 2-{[(2,5-dimethylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate

Catalog ID
STK968850
SMILES COC(=O)c1c(NC(=O)COc2cc(C)ccc2C)sc2c1C(CC2)C(=O)OC

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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 C21H23NO6S MW 417.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO6S/c1-11-5-6-12(2)14(9-11)28-10-16(23)22-19-18(21(25)27-4)17-13(20(24)26-3)7-8-15(17)29-19/h5-6,9,13H,7-8,10H2,1-4H3,(H,22,23)
InChIKey
YYNROLQOKYVUAA-UHFFFAOYSA-N
Synonyms
369393-44-2
34DIMETHYL2(2(25DIMETHYLPHENOXY)ACETAMIDO)4H5H6HCYCLOPENTA(B)THIOPHENE34DICARBOXYLATE
369393442
CC1=CC(=C(C=C1)C)OCC(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC
DIMETHYL(4R)2(((25DIMETHYLPHENOXY)ACETYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE34DICARBOXYLATE
dimethyl2(((25dimethylphenoxy)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene34dicarboxylate
DIMETHYL2((2(25DIMETHYLPHENOXY)ACETYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE34DICARBOXYLATE
dimethyl2(2(25dimethylphenoxy)acetamido)56dihydro4Hcyclopenta(b)thiophene34dicarboxylate
InChI=1SC21H23NO6Sc1115612(2)14(911)281016(23)221918(21(25)274)1713(20(24)263)7815(17)2919h56913H7810H214H3(H2223)
METHYL2(2(25DIMETHYLPHENOXY)ACETYLAMINO)3(METHOXYCARBONYL)456TRIHYDROCYCLOPENTA(32B)THIOPHENE4CARBOXYLATE
MFCD02347983
ZINC000001748195
ZINC000001748196

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Available files

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