Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-9-(((2,2-dimethoxyethyl)amino)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL527557
SMILES COC(CNCC1C(=O)O[C@H]2[C@@H]1[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C)OC
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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 C19H31NO5 MW 353.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H31NO5/c1-11-6-5-7-18(2)8-13-15(16-19(11,18)25-16)12(17(21)24-13)9-20-10-14(22-3)23-4/h11-16,20H,5-10H2,1-4H3/t11-,12?,13+,15+,16-,18+,19-/m0/s1InChIKey
NMLGIVQHCMERBC-BAJBWGSLSA-NSynonyms
956826-00-9(1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))5((22dimethoxyethylamino)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
(1aR2S5aR6aR9S9aR9bS)9(((22dimethoxyethyl)amino)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
16397096
956826009
COC(CNCC1C(=O)O(C@H)2(C@@H)1(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C)OC
InChI=1SC19H31NO5c11165718(2)81315(1619(1118)2516)12(17(21)2413)9201014(223)234h111620H510H214H3t1112?13+15+1618+19m0s1
MFCD32649866
ZINC000004028636
ZINC000012659991
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