Vitas-M small molecule compound

ethyl 2-[(2-hydroxy-5-methylbenzyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Catalog ID
STK744539
SMILES CCOC(=O)c1c(NCc2cc(C)ccc2O)sc2c1CCC2

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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 C18H21NO3S MW 331.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO3S/c1-3-22-18(21)16-13-5-4-6-15(13)23-17(16)19-10-12-9-11(2)7-8-14(12)20/h7-9,19-20H,3-6,10H2,1-2H3
InChIKey
YMMSKAJCQBTOIE-UHFFFAOYSA-N
Synonyms
380644-27-9
380644279
CCOC(=O)C1=C(SC2=C1CCC2)NCC3=C(C=CC(=C3)C)O
ethyl2((2hydroxy5methylbenzyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ETHYL2((2HYDROXY5METHYLPHENYL)METHYLAMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
InChI=1SC18H21NO3Sc132218(21)161354615(13)2317(16)191012911(2)7814(12)20h791920H3610H212H3
MFCD02942857
ZINC000000348531
ZINC00348531
ZINC348531

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Available files

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