Vitas-M small molecule compound
propan-2-yl [4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]acetate
Catalog ID
STK755481
SMILES CC(OC(=O)COc1ccc(cc1)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)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 C28H34O6 MW 466.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34O6/c1-16(2)33-23(31)15-32-18-9-7-17(8-10-18)24-25-19(29)11-27(3,4)13-21(25)34-22-14-28(5,6)12-20(30)26(22)24/h7-10,16,24H,11-15H2,1-6H3InChIKey
SDWJEFCPYXWCLW-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)COC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C
InChI=1SC28H34O6c116(2)3323(31)1532189717(81018)242519(29)1127(34)1321(25)34221428(56)1220(30)26(22)24h7101624H1115H216H3
MFCD00828195
propan2yl(4(3366tetramethyl18dioxo23456789octahydro1Hxanthen9yl)phenoxy)acetate
propan2yl2(4(3366tetramethyl18dioxo4579tetrahydro2Hxanthen9yl)phenoxy)acetate
ZINC000000713164
ZINC00713164
ZINC713164
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