Vitas-M small molecule compound

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

Catalog ID
STL331950
SMILES COC(=O)c1c(NC(=O)CCCOc2ccc(cc2)C)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 C22H25NO6S MW 431.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO6S/c1-13-6-8-14(9-7-13)29-12-4-5-17(24)23-20-19(22(26)28-3)18-15(21(25)27-2)10-11-16(18)30-20/h6-9,15H,4-5,10-12H2,1-3H3,(H,23,24)
InChIKey
WDBSUQQXYGRRAC-UHFFFAOYSA-N
Synonyms
369398-26-5
369398265
CC1=CC=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC
DIMETHYL(4R)2((4(4METHYLPHENOXY)BUTANOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE34DICARBOXYLATE
DIMETHYL(4S)2((4(4METHYLPHENOXY)BUTANOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE34DICARBOXYLATE
dimethyl2((4(4methylphenoxy)butanoyl)amino)56dihydro4Hcyclopenta(b)thiophene34dicarboxylate
DIMETHYL2(4(4METHYLPHENOXY)BUTANOYLAMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE34DICARBOXYLATE
dimethyl2(4(ptolyloxy)butanamido)56dihydro4Hcyclopenta(b)thiophene34dicarboxylate
InChI=1SC22H25NO6Sc1136814(9713)29124517(24)232019(22(26)283)1815(21(25)272)101116(18)3020h6915H451012H213H3(H2324)
METHYL3(METHOXYCARBONYL)2(4(4METHYLPHENOXY)BUTANOYLAMINO)456TRIHYDROCYCLOPENTA(32B)THIOPHENE4CARBOXYLATE
MFCD02367400
ZINC000001773380
ZINC000001773381

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Available files

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