Vitas-M small molecule compound
[1,3,4a-trimethyl-4,4a,9,9a-tetrahydro-1H-9,2-(epoxymethano)xanthen-2(3H)-yl]methyl benzoate
Catalog ID
STK002331
SMILES O=C(c1ccccc1)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 C25H28O4 MW 392.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28O4/c1-16-13-24(3)21-17(2)25(16,15-28-23(26)18-9-5-4-6-10-18)14-27-22(21)19-11-7-8-12-20(19)29-24/h4-12,16-17,21-22H,13-15H2,1-3H3InChIKey
WIFNCGJZNHYSGP-UHFFFAOYSA-NSynonyms
((1R3S4AR9S9AR)134ATRIMETHYL44A99ATETRAHYDRO1H92(EPOXYMETHANO)XANTHEN2(3H)YL)METHYLBENZOATE
((1S2R3R)134atrimethyl2344a99ahexahydro1H92(epoxymethano)xanthen2yl)methylbenzoate
(134ATRIMETHYL44A99ATETRAHYDRO1H92(EPOXYMETHANO)XANTHEN2(3H)YL)METHYLBENZOATE
CC1CC2(C3C(C1(COC3C4=CC=CC=C4O2)COC(=O)C5=CC=CC=C5)C)C
InChI=1SC25H28O4c1161324(3)2117(2)25(16152823(26)1895461018)142722(21)1911781220(19)2924h41216172122H1315H213H3
MFCD01806805
O=C(c1ccccc1)OCC12COC3C((C@@H)2C)C(CC1C)(C)Oc1c3cccc1
O=C(c1ccccc1)OCC12COC3C(C2C)C(CC1C)(C)Oc1c3cccc1
STK002331
ZINC000100598164
ZINC000239235615
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