Vitas-M small molecule compound

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

Catalog ID
STL332000
SMILES COC(=O)c1c(NC(=O)COc2cc(C)c(c(c2)C)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 C21H22ClNO6S MW 451.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClNO6S/c1-10-7-12(8-11(2)18(10)22)29-9-15(24)23-19-17(21(26)28-4)16-13(20(25)27-3)5-6-14(16)30-19/h7-8,13H,5-6,9H2,1-4H3,(H,23,24)
InChIKey
PXNNQMRHOKOECV-UHFFFAOYSA-N
Synonyms
383892-01-1
383892011
CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC
DIMETHYL(4S)2(((4CHLORO35DIMETHYLPHENOXY)ACETYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE34DICARBOXYLATE
dimethyl2(((4chloro35dimethylphenoxy)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene34dicarboxylate
DIMETHYL2((2(4CHLORO35DIMETHYLPHENOXY)ACETYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE34DICARBOXYLATE
dimethyl2(2(4chloro35dimethylphenoxy)acetamido)56dihydro4Hcyclopenta(b)thiophene34dicarboxylate
InChI=1SC21H22ClNO6Sc110712(811(2)18(10)22)29915(24)231917(21(26)284)1613(20(25)273)5614(16)3019h7813H569H214H3(H2324)
METHYL2(2(4CHLORO35DIMETHYLPHENOXY)ACETYLAMINO)3(METHOXYCARBONYL)456TRIHYDROCYCLOPENTA(32B)THIOPHENE4CARBOXYLATE
MFCD01650669
ZINC000001747469
ZINC000001747474

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Available files

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