Vitas-M small molecule compound
3,3,6,6-tetramethyl-9-(3-phenyl-1H-pyrazol-4-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK757133
SMILES O=C1CC(C)(C)CC2=C1C(C1=C(O2)CC(CC1=O)(C)C)c1c[nH]nc1c1ccccc1
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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 C26H28N2O3 MW 416.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O3/c1-25(2)10-17(29)22-19(12-25)31-20-13-26(3,4)11-18(30)23(20)21(22)16-14-27-28-24(16)15-8-6-5-7-9-15/h5-9,14,21H,10-13H2,1-4H3,(H,27,28)InChIKey
KYONOOOPPUMVIY-UHFFFAOYSA-NSynonyms
3366tetramethyl9(3phenyl1Hpyrazol4yl)345679hexahydro1Hxanthene18(2H)dione
3366tetramethyl9(5phenyl1Hpyrazol4yl)4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=C(NN=C4)C5=CC=CC=C5)C(=O)C1)C
InChI=1SC26H28N2O3c125(2)1017(29)2219(1225)31201326(34)1118(30)23(20)21(22)1614272824(16)158657915h591421H1013H214H3(H2728)
MFCD01066198
O=C1CC(C)(C)CC2=C1C(C1=C(O2)CC(CC1=O)(C)C)c1c(nH)nc1c1ccccc1
ZINC000000886073
ZINC00886073
ZINC886073
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