Vitas-M small molecule compound

3,3,6,6-tetramethyl-9-(2-nitrophenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

Catalog ID
STL427241
SMILES O=C1CC(C)(C)CC2=C1C(C1=C(O2)CC(CC1=O)(C)C)c1ccccc1[N+](=O)[O-]

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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 C23H25NO5 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5/c1-22(2)9-15(25)20-17(11-22)29-18-12-23(3,4)10-16(26)21(18)19(20)13-7-5-6-8-14(13)24(27)28/h5-8,19H,9-12H2,1-4H3
InChIKey
ISKQVKRZTJNKOI-UHFFFAOYSA-N
Synonyms
30038-64-3
30038643
3366tetramethyl9(2nitrophenyl)345679hexahydro1Hxanthene18(2H)dione
3366tetramethyl9(2nitrophenyl)4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=CC=C4(N+)(=O)(O))C(=O)C1)C
InChI=1SC23H25NO5c122(2)915(25)2017(1122)29181223(34)1016(26)21(18)19(20)13756814(13)24(27)28h5819H912H214H3
MFCD00345735
O=C1CC(C)(C)CC2=C1C(C1=C(O2)CC(CC1=O)(C)C)c1ccccc1(N+)(=O)(O)
ZINC000001693034

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Available files

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