Vitas-M small molecule compound
(3aS,4S,8S,8aS)-2-methoxy-4,8-bis[(naphthalen-1-yloxy)methyl]tetrahydro[1,3]dioxolo[4,5-e][1,3]dioxepine (non-preferred name)
Catalog ID
STK370988
SMILES COC1O[C@@H]2[C@@H](O1)[C@@H](OCO[C@H]2COc1cccc2c1cccc2)COc1cccc2c1cccc2
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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 C29H28O7 MW 488.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28O7/c1-30-29-35-27-25(16-31-23-14-6-10-19-8-2-4-12-21(19)23)33-18-34-26(28(27)36-29)17-32-24-15-7-11-20-9-3-5-13-22(20)24/h2-15,25-29H,16-18H2,1H3/t25-,26-,27-,28-/m0/s1InChIKey
KUBYRSNMFJHXIS-LJWNLINESA-NSynonyms
(3aS4S8S8aS)2methoxy48bis((naphthalen1yloxy)methyl)tetrahydro(13)dioxolo(45e)(13)dioxepine(nonpreferredname)
(3aS4S8S8aS)2methoxy48bis(naphthalen1yloxymethyl)3a488atetrahydro(13)dioxolo(45e)(13)dioxepine
COC1O(C@@H)2(C@@H)(O1)(C@@H)(OCO(C@H)2COc1cccc2c1cccc2)COc1cccc2c1cccc2
COC1OC2C(OCOC(C2O1)COC3=CC=CC4=CC=CC=C43)COC5=CC=CC6=CC=CC=C65
InChI=1SC29H28O7c13029352725(16312314610198241221(19)23)33183426(28(27)3629)17322415711209351322(20)24h2152529H1618H21H3t25262728m0s1
MFCD13368847
ZINC000004065106
ZINC04065106
ZINC4065106
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