Vitas-M small molecule compound
3-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-4-ethoxybenzoic acid
Catalog ID
STK195704
SMILES CCOc1ccc(cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2)C(=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 C22H22O6 MW 382.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22O6/c1-2-27-16-10-9-12(22(25)26)11-13(16)19-20-14(23)5-3-7-17(20)28-18-8-4-6-15(24)21(18)19/h9-11,19H,2-8H2,1H3,(H,25,26)InChIKey
JCIDBCJZIHUYNB-UHFFFAOYSA-NSynonyms
3(18dioxo23456789octahydro1Hxanthen9yl)4ethoxybenzoicacid
3(18dioxo345679hexahydro2Hxanthen9yl)4ethoxybenzoicacid
CCOC1=C(C=C(C=C1)C(=O)O)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4
InChI=1SC22H22O6c12271610912(22(25)26)1113(16)192014(23)53717(20)281884615(24)21(18)19h91119H28H21H3(H2526)
MFCD04334804
ZINC000004746572
ZINC4746572
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