Vitas-M small molecule compound
[1,3,4a-trimethyl-4,4a,9,9a-tetrahydro-1H-9,2-(epoxymethano)xanthen-2(3H)-yl]methyl propanoate
Catalog ID
STL560970
SMILES CCC(=O)OCC12COC3C(C2C)C(CC1C)(C)Oc1c3cccc1
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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 C21H28O4 MW 344.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28O4/c1-5-17(22)23-11-21-12-24-19-15-8-6-7-9-16(15)25-20(4,10-13(21)2)18(19)14(21)3/h6-9,13-14,18-19H,5,10-12H2,1-4H3InChIKey
OPDBPJWZYLLHKS-UHFFFAOYSA-NSynonyms
((9S9aS)134atrimethyl2344a99ahexahydro1H92(epoxymethano)xanthen2yl)methylpropionate
(134atrimethyl44a99atetrahydro1H92(epoxymethano)xanthen2(3H)yl)methylpropanoate
(134ATRIMETHYL44A99ATETRAHYDRO1H92(EPOXYMETHANO)XANTHEN2(3H)YL)METHYLPROPIONATE
(91113trimethyl815dioxatetracyclo(10220270914)hexadeca246trien12yl)methylpropanoate
2880040
CCC(=O)OCC12CO(C@H)3(C@H)(C2C)C(CC1C)(C)Oc1c3cccc1
InChI=1SC21H28O4c1517(22)23112112241915867916(15)2520(41013(21)2)18(19)14(21)3h6913141819H51012H214H3
MFCD01844469
ZINC000004029255
ZINC000239378367
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