Vitas-M small molecule compound
9-[3-bromo-4-(dimethylamino)phenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STL023783
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(c(c1)Br)N(C)C)C1=C(O2)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 C25H30BrNO3 MW 472.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30BrNO3/c1-24(2)10-17(28)22-19(12-24)30-20-13-25(3,4)11-18(29)23(20)21(22)14-7-8-16(27(5)6)15(26)9-14/h7-9,21H,10-13H2,1-6H3InChIKey
ZPKDJLIBXUWNLF-UHFFFAOYSA-NSynonyms
684238-38-8684238388
9(3bromo4(dimethylamino)phenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(3bromo4(dimethylamino)phenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)N(C)C)Br)C(=O)C1)C
InChI=1SC25H30BrNO3c124(2)1017(28)2219(1224)30201325(34)1118(29)23(20)21(22)147816(27(5)6)15(26)914h7921H1013H216H3
MFCD00469627
ZINC000002202662
ZINC02202662
ZINC2202662
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