Vitas-M small molecule compound
9-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK433951
SMILES Clc1ccc(cc1)c1n[nH]cc1C1C2=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 C26H27ClN2O3 MW 450.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClN2O3/c1-25(2)9-17(30)22-19(11-25)32-20-12-26(3,4)10-18(31)23(20)21(22)16-13-28-29-24(16)14-5-7-15(27)8-6-14/h5-8,13,21H,9-12H2,1-4H3,(H,28,29)InChIKey
POANNVAKCGNANT-UHFFFAOYSA-NSynonyms
9(3(4chlorophenyl)1Hpyrazol4yl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(5(4chlorophenyl)1Hpyrazol4yl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=C(NN=C4)C5=CC=C(C=C5)Cl)C(=O)C1)C
Clc1ccc(cc1)c1n(nH)cc1C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C
InChI=1SC26H27ClN2O3c125(2)917(30)2219(1125)32201226(34)1018(31)23(20)21(22)1613282924(16)145715(27)8614h581321H912H214H3(H2829)
MFCD03943377
ZINC000005917804
ZINC05917804
ZINC5917804
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