Vitas-M small molecule compound

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

Catalog ID
STK843134
SMILES COC(=O)C1CCc2c1c(C(=O)OC)c(s2)NC(=O)CCCOc1ccc(cc1)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 C22H25NO7S MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO7S/c1-27-13-6-8-14(9-7-13)30-12-4-5-17(24)23-20-19(22(26)29-3)18-15(21(25)28-2)10-11-16(18)31-20/h6-9,15H,4-5,10-12H2,1-3H3,(H,23,24)
InChIKey
QZMVCWOAJDDBIM-UHFFFAOYSA-N
Synonyms
433974-03-9
433974039
COC1=CC=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC
dimethyl2((4(4methoxyphenoxy)butanoyl)amino)56dihydro4Hcyclopenta(b)thiophene34dicarboxylate
dimethyl2(4(4methoxyphenoxy)butanamido)56dihydro4Hcyclopenta(b)thiophene34dicarboxylate
DIMETHYL2(4(4METHOXYPHENOXY)BUTANOYLAMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE34DICARBOXYLATE
InChI=1SC22H25NO7Sc127136814(9713)30124517(24)232019(22(26)293)1815(21(25)282)101116(18)3120h6915H451012H213H3(H2324)
METHYL3(METHOXYCARBONYL)2(4(4METHOXYPHENOXY)BUTANOYLAMINO)456TRIHYDROCYCLOPENTA(32B)THIOPHENE4CARBOXYLATE
MFCD02967516
ZINC000001778251
ZINC000001778252

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Available files

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