Vitas-M small molecule compound

ethyl 2-(propanoylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate

Catalog ID
STL360516
SMILES CCOC(=O)c1c(NC(=O)CC)sc2c1CCCCCCCCCC2

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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 C20H31NO3S MW 365.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H31NO3S/c1-3-17(22)21-19-18(20(23)24-4-2)15-13-11-9-7-5-6-8-10-12-14-16(15)25-19/h3-14H2,1-2H3,(H,21,22)
InChIKey
QUKRRZLZDZXRJE-UHFFFAOYSA-N
Synonyms
380645-24-9
380645249
CCC(=O)NC1=C(C2=C(S1)CCCCCCCCCC2)C(=O)OCC
ethyl2(propanoylamino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
ethyl2propionamido45678910111213decahydrocyclododeca(b)thiophene3carboxylate
InChI=1SC20H31NO3Sc1317(22)211918(20(23)2442)1513119756810121416(15)2519h314H212H3(H2122)
MFCD02942943
ZINC000003773534
ZINC03773534
ZINC3773534

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Available files

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