Vitas-M small molecule compound
9-[3,5-dichloro-4-(prop-2-en-1-yloxy)phenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK199965
SMILES C=CCOc1c(Cl)cc(cc1Cl)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 C26H28Cl2O4 MW 475.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28Cl2O4/c1-6-7-31-24-15(27)8-14(9-16(24)28)21-22-17(29)10-25(2,3)12-19(22)32-20-13-26(4,5)11-18(30)23(20)21/h6,8-9,21H,1,7,10-13H2,2-5H3InChIKey
FTXAKVBLUIWPMU-UHFFFAOYSA-NSynonyms
9(35dichloro4(prop2en1yloxy)phenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(35dichloro4prop2enoxyphenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C(=C4)Cl)OCC=C)Cl)C(=O)C1)C
InChI=1SC26H28Cl2O4c167312415(27)814(916(24)28)212217(29)1025(23)1219(22)32201326(45)1118(30)23(20)21h68921H171013H225H3
MFCD03715826
ZINC000002818500
ZINC02818500
ZINC2818500
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