Vitas-M small molecule compound

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

Catalog ID
STK744561
SMILES CCCC(=O)Nc1sc2c(c1C(=O)OCC)CCCCCCCCCC2

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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 C21H33NO3S MW 379.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H33NO3S/c1-3-13-18(23)22-20-19(21(24)25-4-2)16-14-11-9-7-5-6-8-10-12-15-17(16)26-20/h3-15H2,1-2H3,(H,22,23)
InChIKey
IWRCDSFDBJFZLX-UHFFFAOYSA-N
Synonyms
380645-25-0
380645250
CCCC(=O)NC1=C(C2=C(S1)CCCCCCCCCC2)C(=O)OCC
ethyl2(butanoylamino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
ethyl2butyramido45678910111213decahydrocyclododeca(b)thiophene3carboxylate
InChI=1SC21H33NO3Sc131318(23)222019(21(24)2542)1614119756810121517(16)2620h315H212H3(H2223)
MFCD02942944
ZINC000004154536
ZINC04154536
ZINC4154536

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Available files

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