Vitas-M small molecule compound

methyl 2-{[(3,4-diethoxyphenyl)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Catalog ID
STK768585
SMILES CCOc1cc(ccc1OCC)CC(=O)Nc1sc2c(c1C(=O)OC)CCC2

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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 C21H25NO5S MW 403.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO5S/c1-4-26-15-10-9-13(11-16(15)27-5-2)12-18(23)22-20-19(21(24)25-3)14-7-6-8-17(14)28-20/h9-11H,4-8,12H2,1-3H3,(H,22,23)
InChIKey
SYZLWNGLXYPBJD-UHFFFAOYSA-N
Synonyms

CCOC1=C(C=C(C=C1)CC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)OCC
InChI=1SC21H25NO5Sc14261510913(1116(15)2752)1218(23)222019(21(24)253)1476817(14)2820h911H4812H213H3(H2223)
methyl2(((34diethoxyphenyl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2((2(34DIETHOXYPHENYL)ACETYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
METHYL2(2(34DIETHOXYPHENYL)ACETYLAMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
MFCD03308399
ZINC000000720593
ZINC00720593
ZINC720593

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Available files

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