Vitas-M small molecule compound
2-[5-methoxy-2-(6'-methoxy-1',3',4',9a'-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4a'(2'H)-yl)phenoxy]-1-phenylethanone
Catalog ID
STK681828
SMILES COc1ccc(c(c1)OCC(=O)c1ccccc1)C12CCCCC2C2(c3c(O1)cc(OC)cc3)CCCCC2
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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 C34H38O5 MW 526.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38O5/c1-36-25-15-17-28(30(21-25)38-23-29(35)24-11-5-3-6-12-24)34-20-10-7-13-32(34)33(18-8-4-9-19-33)27-16-14-26(37-2)22-31(27)39-34/h3,5-6,11-12,14-17,21-22,32H,4,7-10,13,18-20,23H2,1-2H3InChIKey
RPJZWGTUSQTWIR-UHFFFAOYSA-NSynonyms
2(5methoxy2(6methoxy1349atetrahydrospiro(cyclohexane19xanthen)4a(2H)yl)phenoxy)1phenylethanone
2(5methoxy2(6methoxyspiro(2349atetrahydro1Hxanthene91cyclohexane)4ayl)phenoxy)1phenylethanone
COC1=CC2=C(C=C1)C3(CCCCC3)C4CCCCC4(O2)C5=C(C=C(C=C5)OC)OCC(=O)C6=CC=CC=C6
InChI=1SC34H38O5c13625151728(30(2125)382329(35)24115361224)34201071332(34)33(188491933)27161426(372)2231(27)3934h35611121417212232H471013182023H212H3
MFCD03820216
ZINC000008869758
ZINC000012371438
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