Vitas-M small molecule compound
(4R,4aS)-3,4a,8,8-tetramethyl-4-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-4,4a,5,6,8,8a-hexahydronaphthalene-1,7-dione
Catalog ID
STL570360
SMILES CC1=CC(=O)C2[C@@]([C@@H]1COc1ccc3c(c1)oc(=O)cc3)(C)CCC(=O)C2(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 C24H26O5 MW 394.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26O5/c1-14-11-18(25)22-23(2,3)20(26)9-10-24(22,4)17(14)13-28-16-7-5-15-6-8-21(27)29-19(15)12-16/h5-8,11-12,17,22H,9-10,13H2,1-4H3/t17-,22?,24+/m1/s1InChIKey
DXVHSOMRFHJYQX-ABWUOXKQSA-NSynonyms
(4R4aS)34a88tetramethyl4(((2oxo2Hchromen7yl)oxy)methyl)44a5688ahexahydronaphthalene17dione
(4R4aS)34a88tetramethyl4((2oxochromen7yl)oxymethyl)4568atetrahydronaphthalene17dione
(4R4aS8aS)34a88tetramethyl4(((2oxo2Hchromen7yl)oxy)methyl)44a5688ahexahydronaphthalene17dione
145705644
CC1=CC(=O)(C@H)2(C@@)((C@@H)1COc1ccc3c(c1)oc(=O)cc3)(C)CCC(=O)C2(C)C
InChI=1SC24H26O5c1141118(25)2223(23)20(26)91024(224)17(14)13281675156821(27)2919(15)1216h5811121722H91013H214H3t1722?24+m1s1
ZINC000004063516
ZINC000005427033
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