Vitas-M small molecule compound
2-[(5-bromothiophen-2-yl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK028490
SMILES Brc1ccc(s1)C(C1=C(O)CC(CC1=O)(C)C)C1C(=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 C21H25BrO4S MW 453.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25BrO4S/c1-20(2)7-11(23)17(12(24)8-20)19(15-5-6-16(22)27-15)18-13(25)9-21(3,4)10-14(18)26/h5-6,17,19,25H,7-10H2,1-4H3InChIKey
HEANFNVQNLVDJH-UHFFFAOYSA-NSynonyms
2((5BROMO(2THIENYL))(6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((5BROMO2THIENYL)(2HYDROXY44DIMETHYL6OXO1CYCLOHEXEN1YL)METHYL)55DIMETHYL13CYCLOHEXANEDIONE
2((5BROMOTHIOPHEN2YL)(2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((5bromothiophen2yl)(2hydroxy44dimethyl6oxocyclohexen1yl)methyl)55dimethylcyclohexane13dione
Brc1ccc(s1)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C
CC1(CC(=O)C(C(=O)C1)C(C2=CC=C(S2)Br)C3=C(CC(CC3=O)(C)C)O)C
InChI=1SC21H25BrO4Sc120(2)711(23)17(12(24)820)19(155616(22)2715)1813(25)921(34)1014(18)26h56171925H710H214H3
MFCD00554734
STK028490
ZINC000100004498
ZINC000100004501
Check stock
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Check stock on Vitas-MAvailable files
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