Vitas-M small molecule compound
3,3,6,6-tetramethyl-9-(6-nitro-1,3-benzodioxol-5-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK673682
SMILES O=C1CC(C)(C)CC2=C1C(C1=C(O2)CC(CC1=O)(C)C)c1cc2OCOc2cc1[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 C24H25NO7 MW 439.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO7/c1-23(2)7-14(26)21-18(9-23)32-19-10-24(3,4)8-15(27)22(19)20(21)12-5-16-17(31-11-30-16)6-13(12)25(28)29/h5-6,20H,7-11H2,1-4H3InChIKey
WKXQBLKYHRQVSS-UHFFFAOYSA-NSynonyms
3366tetramethyl9(6nitro13benzodioxol5yl)345679hexahydro1Hxanthene18(2H)dione
3366tetramethyl9(6nitro13benzodioxol5yl)4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC5=C(C=C4(N+)(=O)(O))OCO5)C(=O)C1)C
InChI=1SC24H25NO7c123(2)714(26)2118(923)32191024(34)815(27)22(19)20(21)1251617(31113016)613(12)25(28)29h5620H711H214H3
MFCD00606563
O=C1CC(C)(C)CC2=C1C(C1=C(O2)CC(CC1=O)(C)C)c1cc2OCOc2cc1(N+)(=O)(O)
ZINC000002490725
ZINC02490725
ZINC2490725
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