Vitas-M small molecule compound
9-(1-acetyl-1H-indol-3-yl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STL337975
SMILES O=C1CC(C)(C)CC2=C1C(C1=C(O2)CC(CC1=O)(C)C)c1cn(c2c1cccc2)C(=O)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 C27H29NO4 MW 431.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO4/c1-15(29)28-14-17(16-8-6-7-9-18(16)28)23-24-19(30)10-26(2,3)12-21(24)32-22-13-27(4,5)11-20(31)25(22)23/h6-9,14,23H,10-13H2,1-5H3InChIKey
KJHDDKZAVMYEEE-UHFFFAOYSA-NSynonyms
799819-43-5799819435
9(1acetyl1Hindol3yl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(1acetylindol3yl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC(=O)N1C=C(C2=CC=CC=C21)C3C4=C(CC(CC4=O)(C)C)OC5=C3C(=O)CC(C5)(C)C
InChI=1SC27H29NO4c115(29)281417(16867918(16)28)232419(30)1026(23)1221(24)32221327(45)1120(31)25(22)23h691423H1013H215H3
MFCD03681843
ZINC000002235164
ZINC02235164
ZINC2235164
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