Vitas-M small molecule compound
4-[6-(acetyloxy)-1,2,3,9a-tetrahydro-3aH-spiro[cyclopenta[b]chromene-9,1'-cyclopentan]-3a-yl]benzene-1,3-diyl diacetate
Catalog ID
STK773975
SMILES CC(=O)Oc1ccc(c(c1)OC(=O)C)C12CCCC2C2(c3c(O1)cc(cc3)OC(=O)C)CCCC2
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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 C28H30O7 MW 478.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30O7/c1-17(29)32-20-9-11-23(24(15-20)34-19(3)31)28-14-6-7-26(28)27(12-4-5-13-27)22-10-8-21(33-18(2)30)16-25(22)35-28/h8-11,15-16,26H,4-7,12-14H2,1-3H3InChIKey
FFWRICQTHUAKHI-UHFFFAOYSA-NSynonyms
(3a(24diacetyloxyphenyl)spiro(1239atetrahydrocyclopenta(b)chromene91cyclopentane)6yl)acetate
4(6(acetyloxy)1239atetrahydro3aHspiro(cyclopenta(b)chromene91cyclopentan)3ayl)benzene13diyldiacetate
CC(=O)OC1=CC2=C(C=C1)C3(CCCC3)C4CCCC4(O2)C5=C(C=C(C=C5)OC(=O)C)OC(=O)C
InChI=1SC28H30O7c117(29)322091123(24(1520)3419(3)31)28146726(28)27(12451327)2210821(3318(2)30)1625(22)3528h811151626H471214H213H3
MFCD03428688
ZINC000000630101
ZINC000000630105
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