Vitas-M small molecule compound

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

Catalog ID
STK468726
SMILES CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCCCC2

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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 C20H23NO3S MW 357.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO3S/c1-2-24-20(23)17-15-12-8-3-4-9-13-16(15)25-19(17)21-18(22)14-10-6-5-7-11-14/h5-7,10-11H,2-4,8-9,12-13H2,1H3,(H,21,22)
InChIKey
PSZPRZWXPATPLW-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=CC=CC=C3
ethyl2((phenylcarbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2benzamido456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC20H23NO3Sc122420(23)17151283491316(15)2519(17)2118(22)14106571114h571011H24891213H21H3(H2122)
MFCD03381576
ZINC000006047448
ZINC06047448
ZINC6047448

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Available files

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