Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one hydrochloride
Catalog ID
STL527454
SMILES COc1ccc2c(c1)c(CCNCC1C(=O)O[C@H]3[C@@H]1CC1C(=C)CCC[C@@]1(C3)C)c[nH]2
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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 C26H34N2O3 MW 422.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2O3/c1-16-5-4-9-26(2)13-24-20(12-22(16)26)21(25(29)31-24)15-27-10-8-17-14-28-23-7-6-18(30-3)11-19(17)23/h6-7,11,14,20-22,24,27-28H,1,4-5,8-10,12-13,15H2,2-3H3/t20-,21?,22?,24-,26-/m1/s1InChIKey
MMBRMLRSVQKWSL-ZWTRHHTNSA-NSynonyms
(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((2(5methoxy1~(H)indol3yl)ethylamino)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((2(5methoxy1Hindol3yl)ethyl)amino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)onehydrochloride
16398061
COc1ccc2c(c1)c(CCNCC1C(=O)O(C@H)3(C@@H)1CC1C(=C)CCC(C@@)1(C3)C)c(nH)2Cl
InChI=1SC26H34N2O3c11654926(2)132420(1222(16)26)21(25(29)3124)1527108171428237618(303)1119(17)23h6711142022242728H145810121315H223H3t2021?22?2426m1s1
ZINC000004041773
ZINC000012661450
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