Vitas-M small molecule compound

ethyl 2-{[(2-methoxyphenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Catalog ID
STK418748
SMILES CCOC(=O)c1c(sc2c1CCCCCC2)NC(=O)c1ccccc1OC

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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 C21H25NO4S MW 387.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4S/c1-3-26-21(24)18-15-11-6-4-5-7-13-17(15)27-20(18)22-19(23)14-10-8-9-12-16(14)25-2/h8-10,12H,3-7,11,13H2,1-2H3,(H,22,23)
InChIKey
AAMVYKONSDATRX-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=CC=CC=C3OC
ethyl2(((2methoxyphenyl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2((2methoxybenzoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC21H25NO4Sc132621(24)18151164571317(15)2720(18)2219(23)1410891216(14)252h81012H371113H212H3(H2223)
MFCD01343155
ZINC000000995368
ZINC00995368
ZINC995368

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Available files

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