Vitas-M small molecule compound

2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(thiophen-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione

Catalog ID
STK023402
SMILES O=C1CC(C)(C)CC(=O)C1C(C1=C(O)CC(CC1=O)(C)C)c1cccs1

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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 C21H26O4S MW 374.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26O4S/c1-20(2)8-12(22)17(13(23)9-20)19(16-6-5-7-26-16)18-14(24)10-21(3,4)11-15(18)25/h5-7,17,19,24H,8-11H2,1-4H3
InChIKey
VGZWLMHFXYHTGL-UHFFFAOYSA-N
Synonyms

2((2HYDROXY44DIMETHYL6OXO1CYCLOHEXEN1YL)(2THIENYL)METHYL)55DIMETHYL13CYCLOHEXANEDIONE
2((2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)(THIOPHEN2YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((2hydroxy44dimethyl6oxocyclohexen1yl)thiophen2ylmethyl)55dimethylcyclohexane13dione
2((6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)2THIENYLMETHYL)55DIMETHYLCYCLOHEXANE13DIONE
CC1(CC(=O)C(C(=O)C1)C(C2=CC=CS2)C3=C(CC(CC3=O)(C)C)O)C
InChI=1SC21H26O4Sc120(2)812(22)17(13(23)920)19(166572616)1814(24)1021(34)1115(18)25h57171924H811H214H3
MFCD02029123
O=C1CC(C)(C)CC(=O)C1C(C1=C(O)CC(CC1=O)(C)C)c1cccs1
STK023402
ZINC000100007252
ZINC000100007253

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Available files

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