Vitas-M small molecule compound
(2E)-3-(3-{2-[(1S,5S,8aR)-5-(methoxycarbonyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}furan-2-yl)prop-2-enoic acid
Catalog ID
STL564795
SMILES COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1/C=C/C(=O)O)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 C24H32O5 MW 400.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H32O5/c1-16-6-10-20-23(2,13-5-14-24(20,3)22(27)28-4)18(16)8-7-17-12-15-29-19(17)9-11-21(25)26/h9,11-12,15,18,20H,1,5-8,10,13-14H2,2-4H3,(H,25,26)/b11-9+/t18-,20?,23+,24-/m0/s1InChIKey
PAZTXOBRMGJBBL-YITPWJGQSA-NSynonyms
956983-71-4(2E)3(3(2((1S5S8aR)5(methoxycarbonyl)58adimethyl2methylidenedecahydronaphthalen1yl)ethyl)furan2yl)prop2enoicacid
(E)3(3(2((1S5S8aR)5(methoxycarbonyl)58adimethyl2methylenedecahydronaphthalen1yl)ethyl)furan2yl)acrylicacid
(E)3(3(2((1S5S8aR)5methoxycarbonyl58adimethyl2methylidene344a678hexahydro1Hnaphthalen1yl)ethyl)furan2yl)prop2enoicacid
16397236
956983714
COC(=O)(C@@)1(C)CCC(C@)2(C1CCC(=C)(C@@H)2CCc1ccoc1C=CC(=O)O)C
InChI=1SC24H32O5c1166102023(21351424(203)22(27)284)18(16)871712152919(17)91121(25)26h91112151820H158101314H224H3(H2526)b119+t1820?23+24m0s1
MFCD32651567
ZINC000004028896
ZINC000004028897
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