Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((2-(furan-2-ylmethyl)cyclohexyl)amino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL562620
SMILES O=C1O[C@H]2[C@@H](C1CNC1CCCCC1Cc1ccco1)CC1[C@](C2)(C)CCCC1=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 C26H37NO3 MW 411.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H37NO3/c1-17-7-5-11-26(2)15-24-20(14-22(17)26)21(25(28)30-24)16-27-23-10-4-3-8-18(23)13-19-9-6-12-29-19/h6,9,12,18,20-24,27H,1,3-5,7-8,10-11,13-16H2,2H3/t18?,20-,21?,22?,23?,24-,26-/m1/s1InChIKey
KBWQXZRWBYAKNJ-GSQBFHITSA-NSynonyms
1212452-47-5(3aR8aR9aR)3(((2(furan2ylmethyl)cyclohexyl)amino)methyl)8amethyl5methylidene3a44a67899aoctahydro3Hbenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((2(furan2ylmethyl)cyclohexyl)amino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
1212452475
16397901
InChI=1SC26H37NO3c117751126(2)152420(1422(17)26)21(25(28)3024)1627231043818(23)131996122919h691218202427H1357810111316H22H3t18?2021?22?23?2426m1s1
O=C1O(C@H)2(C@@H)(C1CNC1CCCCC1Cc1ccco1)CC1(C@)(C2)(C)CCCC1=C
ZINC000004040187
ZINC000252694400
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