Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-9-(((2-methoxybenzyl)amino)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL526311
SMILES COc1ccccc1CNCC1C(=O)O[C@H]2[C@@H]1[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 C23H31NO4 MW 385.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31NO4/c1-14-7-6-10-22(2)11-18-19(20-23(14,22)28-20)16(21(25)27-18)13-24-12-15-8-4-5-9-17(15)26-3/h4-5,8-9,14,16,18-20,24H,6-7,10-13H2,1-3H3/t14-,16?,18+,19+,20-,22+,23-/m0/s1InChIKey
FOEBWTIHOHDNTR-YZWFDSFHSA-NSynonyms
956975-82-9(1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))5(((2methoxyphenyl)methylamino)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
(1aR2S5aR6aR9S9aR9bS)9(((2methoxybenzyl)amino)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
16396995
956975829
COc1ccccc1CNCC1C(=O)O(C@H)2(C@@H)1(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C
InChI=1SC23H31NO4c114761022(2)111819(2023(1422)2820)16(21(25)2718)13241215845917(15)263h45891416182024H671013H213H3t1416?18+19+2022+23m0s1
MFCD32649828
ZINC000004028513
ZINC000012659826
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