Vitas-M small molecule compound
9-(7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK393484
SMILES COc1ccc2c(c1)[nH]c(=O)c(c2)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=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 C27H29NO5 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO5/c1-26(2)10-18(29)23-20(12-26)33-21-13-27(3,4)11-19(30)24(21)22(23)16-8-14-6-7-15(32-5)9-17(14)28-25(16)31/h6-9,22H,10-13H2,1-5H3,(H,28,31)InChIKey
XYFBUXPFCBJRIC-UHFFFAOYSA-NSynonyms
9(7methoxy2oxo12dihydroquinolin3yl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(7methoxy2oxo1Hquinolin3yl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC5=C(C=C(C=C5)OC)NC4=O)C(=O)C1)C
COc1ccc2c(c1)(nH)c(=O)c(c2)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C
InChI=1SC27H29NO5c126(2)1018(29)2320(1226)33211327(34)1119(30)24(21)22(23)168146715(325)917(14)2825(16)31h6922H1013H215H3(H2831)
MFCD02314285
ZINC000000680537
ZINC00680537
ZINC680537
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