Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-2,5a-dimethyl-9-(((pyridin-4-ylmethyl)amino)methyl)octahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL526083
SMILES O=C1O[C@H]2[C@@H](C1CNCc1ccncc1)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C
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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 C21H28N2O3 MW 356.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O3/c1-13-4-3-7-20(2)10-16-17(18-21(13,20)26-18)15(19(24)25-16)12-23-11-14-5-8-22-9-6-14/h5-6,8-9,13,15-18,23H,3-4,7,10-12H2,1-2H3/t13-,15?,16+,17+,18-,20+,21-/m0/s1InChIKey
AHOMDMPWVTZNJU-XUQBIGPLSA-NSynonyms
956953-32-5(1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))1014dimethyl5((pyridin4ylmethylamino)methyl)27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
(1aR2S5aR6aR9S9aR9bS)25adimethyl9(((pyridin4ylmethyl)amino)methyl)octahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
16396999
956953325
InChI=1SC21H28N2O3c11343720(2)101617(1821(1320)2618)15(19(24)2516)1223111458229614h568913151823H3471012H212H3t1315?16+17+1820+21m0s1
MFCD32649810
O=C1O(C@H)2(C@@H)(C1CNCc1ccncc1)(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C
ZINC000003999460
ZINC000012659830
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