Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((2-(5-hydroxy-1H-indol-3-yl)ethyl)amino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL528126
SMILES O=C1O[C@H]2[C@@H](C1CNCCc1c[nH]c3c1cc(O)cc3)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 C25H32N2O3 MW 408.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2O3/c1-15-4-3-8-25(2)12-23-19(11-21(15)25)20(24(29)30-23)14-26-9-7-16-13-27-22-6-5-17(28)10-18(16)22/h5-6,10,13,19-21,23,26-28H,1,3-4,7-9,11-12,14H2,2H3/t19-,20?,21?,23-,25-/m1/s1InChIKey
SYOZIQWKUALTLK-SVHQLCFBSA-NSynonyms
956973-20-9(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((2(5hydroxy1~(H)indol3yl)ethylamino)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((2(5hydroxy1Hindol3yl)ethyl)amino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16398679
956973209
InChI=1SC25H32N2O3c11543825(2)122319(1121(15)25)20(24(29)3023)142697161327226517(28)1018(16)22h5610131921232628H13479111214H22H3t1920?21?2325m1s1
O=C1O(C@H)2(C@@H)(C1CNCCc1c(nH)c3c1cc(O)cc3)CC1(C@)(C2)(C)CCCC1=C
ZINC000004045419
ZINC000012661773
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