Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-9-(azepan-1-ylmethyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL526093
SMILES O=C1O[C@H]2[C@@H](C1CN1CCCCCC1)[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 C21H33NO3 MW 347.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H33NO3/c1-14-8-7-9-20(2)12-16-17(18-21(14,20)25-18)15(19(23)24-16)13-22-10-5-3-4-6-11-22/h14-18H,3-13H2,1-2H3/t14-,15?,16+,17+,18-,20+,21-/m0/s1InChIKey
GNFFPCUYQGMTPA-BMEYKSJCSA-NSynonyms
1212455-19-0(1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))5(azepan1ylmethyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
(1aR2S5aR6aR9S9aR9bS)9(azepan1ylmethyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
1212455190
16397137
InChI=1SC21H33NO3c11487920(2)121617(1821(1420)2518)15(19(23)2416)13221053461122h1418H313H212H3t1415?16+17+1820+21m0s1
MFCD32649812
O=C1O(C@H)2(C@@H)(C1CN1CCCCCC1)(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C
ZINC000004028711
ZINC000012660039
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