Vitas-M small molecule compound
9-(6-chloro-1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK756680
SMILES O=C1CC(C)(C)CC2=C1C(C1=C(O2)CC(CC1=O)(C)C)c1cc2OCOc2cc1Cl
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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 C24H25ClO5 MW 428.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25ClO5/c1-23(2)7-14(26)21-18(9-23)30-19-10-24(3,4)8-15(27)22(19)20(21)12-5-16-17(6-13(12)25)29-11-28-16/h5-6,20H,7-11H2,1-4H3InChIKey
UNQNZVVOJZRGFT-UHFFFAOYSA-NSynonyms
9(6chloro13benzodioxol5yl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(6chloro13benzodioxol5yl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC5=C(C=C4Cl)OCO5)C(=O)C1)C
InChI=1SC24H25ClO5c123(2)714(26)2118(923)30191024(34)815(27)22(19)20(21)1251617(613(12)25)29112816h5620H711H214H3
MFCD01036030
ZINC000000714194
ZINC00714194
ZINC714194
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