Vitas-M small molecule compound
(2S,4aR,5S,8aS)-1,1,4a-trimethyl-6-methylidene-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}decahydronaphthalen-2-yl acetate
Catalog ID
STL564315
SMILES CC(=O)O[C@H]1CC[C@@]2([C@@H](C1(C)C)CCC(=C)[C@@H]2COc1ccc2c(c1)oc(=O)cc2)C
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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 C26H32O5 MW 424.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32O5/c1-16-6-10-22-25(3,4)23(30-17(2)27)12-13-26(22,5)20(16)15-29-19-9-7-18-8-11-24(28)31-21(18)14-19/h7-9,11,14,20,22-23H,1,6,10,12-13,15H2,2-5H3/t20-,22+,23-,26-/m0/s1InChIKey
MNGYOFNIAOWXIT-VBZBYZBJSA-NSynonyms
14348-18-6((2S4aR5S8aS)114atrimethyl6methylidene5((2oxochromen7yl)oxymethyl)345788ahexahydro2Hnaphthalen2yl)acetate
(2S4aR5R8aS)114atrimethyl6methylene5(((2oxo2Hchromen7yl)oxy)methyl)decahydronaphthalen2ylacetate
(2S4aR5S8aS)114atrimethyl6methylidene5(((2oxo2Hchromen7yl)oxy)methyl)decahydronaphthalen2ylacetate
14348186
7002233
CC(=O)O(C@H)1CC(C@@)2((C@@H)(C1(C)C)CCC(=C)(C@H)2COc1ccc2c(c1)oc(=O)cc2)C
InChI=1SC26H32O5c1166102225(34)23(3017(2)27)121326(225)20(16)152919971881124(28)3121(18)1419h791114202223H1610121315H225H3t2022+2326m0s1
ZINC000004028158
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