Vitas-M small molecule compound

diethyl 4-hydroxy-4-methyl-6-oxo-2-(thiophen-2-yl)cyclohexane-1,3-dicarboxylate

Catalog ID
STK076366
SMILES CCOC(=O)C1C(=O)CC(C(C1c1cccs1)C(=O)OCC)(C)O

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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 C17H22O6S MW 354.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22O6S/c1-4-22-15(19)12-10(18)9-17(3,21)14(16(20)23-5-2)13(12)11-7-6-8-24-11/h6-8,12-14,21H,4-5,9H2,1-3H3
InChIKey
MXPSHXUSZHGSQS-UHFFFAOYSA-N
Synonyms
859795-16-7
859795167
CCOC(=O)C1C(=O)CC(C(C1c1cccs1)C(=O)OCC)(C)O
CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=CS2
DIETHYL(1R2S3R4R)4HYDROXY4METHYL6OXO2(THIOPHEN2YL)CYCLOHEXANE13DICARBOXYLATE
DIETHYL4HYDROXY4METHYL6OXO2(2THIENYL)13CYCLOHEXANEDICARBOXYLATE
DIETHYL4HYDROXY4METHYL6OXO2(THIOPHEN2YL)CYCLOHEXANE13DICARBOXYLATE
DIETHYL4HYDROXY4METHYL6OXO2THIOPHEN2YLCYCLOHEXANE13DICARBOXYLATE
InChI=1SC17H22O6Sc142215(19)1210(18)917(321)14(16(20)2352)13(12)117682411h68121421H459H213H3
MFCD03020327
STK076366
ZINC000004155119
ZINC000013153819

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Available files

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