Vitas-M small molecule compound

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

Catalog ID
STK418848
SMILES COC(=O)c1c(sc2c1CCCCCC2)NC(=O)C(c1ccccc1)c1ccccc1

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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 C26H27NO3S MW 433.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO3S/c1-30-26(29)23-20-16-10-2-3-11-17-21(20)31-25(23)27-24(28)22(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,22H,2-3,10-11,16-17H2,1H3,(H,27,28)
InChIKey
OLPSHNIMMWLYFV-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI=1SC26H27NO3Sc13026(29)2320161023111721(20)3125(23)2724(28)22(18126471318)19148591519h49121522H2310111617H21H3(H2728)
methyl2((22diphenylacetyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((diphenylacetyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD01349847
ZINC000002082286
ZINC02082286
ZINC2082286

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Available files

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