Vitas-M small molecule compound

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

Catalog ID
STL332432
SMILES COC(=O)c1c(NC(=O)COc2ccc(cc2C)Cl)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 C20H20ClNO6S MW 437.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClNO6S/c1-10-8-11(21)4-6-13(10)28-9-15(23)22-18-17(20(25)27-3)16-12(19(24)26-2)5-7-14(16)29-18/h4,6,8,12H,5,7,9H2,1-3H3,(H,22,23)
InChIKey
QNVGNIFIJFWFSZ-UHFFFAOYSA-N
Synonyms
329223-99-6
329223996
CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC
DIMETHYL(4R)2(((4CHLORO2METHYLPHENOXY)ACETYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE34DICARBOXYLATE
DIMETHYL(4S)2(((4CHLORO2METHYLPHENOXY)ACETYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE34DICARBOXYLATE
dimethyl2(((4chloro2methylphenoxy)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene34dicarboxylate
DIMETHYL2((2(4CHLORO2METHYLPHENOXY)ACETYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE34DICARBOXYLATE
dimethyl2(2(4chloro2methylphenoxy)acetamido)56dihydro4Hcyclopenta(b)thiophene34dicarboxylate
InChI=1SC20H20ClNO6Sc110811(21)4613(10)28915(23)221817(20(25)273)1612(19(24)262)5714(16)2918h46812H579H213H3(H2223)
METHYL2(2(4CHLORO2METHYLPHENOXY)ACETYLAMINO)3(METHOXYCARBONYL)456TRIHYDROCYCLOPENTA(32B)THIOPHENE4CARBOXYLATE
MFCD02343014
ZINC000000946446
ZINC000001779982

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Available files

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