Vitas-M small molecule compound

4',4',6,6-tetramethyl-6,7-dihydro-2'H,6'H-spiro[1,3-benzoxathiole-2,1'-cyclohexane]-2',4,6'(5H)-trione

Catalog ID
STK330389
SMILES O=C1CC(C)(C)CC2=C1SC1(O2)C(=O)CC(CC1=O)(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 C16H20O4S MW 308.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20O4S/c1-14(2)5-9(17)13-10(6-14)20-16(21-13)11(18)7-15(3,4)8-12(16)19/h5-8H2,1-4H3
InChIKey
QANWVFWWXSOHJN-UHFFFAOYSA-N
Synonyms
56995-07-4
4466tetramethyl67dihydro2H6Hspiro(13benzoxathiole21cyclohexane)246(5H)trione
4466tetramethyl67dihydrospiro(benzo(d)(13)oxathiole21cyclohexane)246(5H)trione
5566tetramethylspiro(57dihydro13benzoxathiole22cyclohexane)134trione
56995074
CC1(CC2=C(C(=O)C1)SC3(O2)C(=O)CC(CC3=O)(C)C)C
InChI=1SC16H20O4Sc114(2)59(17)1310(614)2016(2113)11(18)715(34)812(16)19h58H214H3
MFCD00713680
ZINC000000261922
ZINC00261922
ZINC261922

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Available files

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