Vitas-M small molecule compound

ethyl 5,5-dimethyl-2-(octanoylamino)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate

Catalog ID
STK540962
SMILES CCCCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CC(OC2)(C)C

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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 C20H31NO4S MW 381.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H31NO4S/c1-5-7-8-9-10-11-16(22)21-18-17(19(23)24-6-2)14-12-20(3,4)25-13-15(14)26-18/h5-13H2,1-4H3,(H,21,22)
InChIKey
SEBZFHSXNKVDHU-UHFFFAOYSA-N
Synonyms
384375-95-5
384375955
CCCCCCCC(=O)NC1=C(C2=C(S1)COC(C2)(C)C)C(=O)OCC
ethyl55dimethyl2(octanoylamino)47dihydro5Hthieno(23c)pyran3carboxylate
ETHYL55DIMETHYL2(OCTANOYLAMINO)47DIHYDROTHIENO(23C)PYRAN3CARBOXYLATE
ethyl55dimethyl2octanamido57dihydro4Hthieno(23c)pyran3carboxylate
InChI=1SC20H31NO4Sc15789101116(22)211817(19(23)2462)141220(34)251315(14)2618h513H214H3(H2122)
MFCD03285038
ZINC000001823015
ZINC01823015
ZINC1823015

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Available files

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