Vitas-M small molecule compound

propyl 2-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STK421854
SMILES CCCOC(=O)c1c(NC(=O)C2CC3CC2CC3)sc2c1CCCCC2

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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 C21H29NO3S MW 375.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29NO3S/c1-2-10-25-21(24)18-15-6-4-3-5-7-17(15)26-20(18)22-19(23)16-12-13-8-9-14(16)11-13/h13-14,16H,2-12H2,1H3,(H,22,23)
InChIKey
OJPOMHMZIPDBHR-UHFFFAOYSA-N
Synonyms
489406-35-1
489406351
CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3CC4CCC3C4
InChI=1SC21H29NO3Sc12102521(24)18156435717(15)2620(18)2219(23)1612138914(16)1113h131416H212H21H3(H2223)
MFCD01337344
propyl2((bicyclo(221)hept2ylcarbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
propyl2(bicyclo(221)heptane3carbonylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ZINC000102618081
ZINC000102618082

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Available files

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