Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-9-(((2-hydroxy-2-(4-hydroxyphenyl)ethyl)(methyl)amino)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL541190
SMILES CN(CC(c1ccc(cc1)O)O)CC1C(=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 C24H33NO5 MW 415.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H33NO5/c1-14-5-4-10-23(2)11-19-20(21-24(14,23)30-21)17(22(28)29-19)12-25(3)13-18(27)15-6-8-16(26)9-7-15/h6-9,14,17-21,26-27H,4-5,10-13H2,1-3H3/t14-,17?,18?,19+,20+,21-,23+,24-/m0/s1InChIKey
ZQBIQCRWJCAJDC-YCAPZJPPSA-NSynonyms
956933-50-9(1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))5(((2hydroxy2(4hydroxyphenyl)ethyl)methylamino)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
(1aR2S5aR6aR9S9aR9bS)9(((2hydroxy2(4hydroxyphenyl)ethyl)(methyl)amino)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
16400953
956933509
CN(CC(c1ccc(cc1)O)O)CC1C(=O)O(C@H)2(C@@H)1(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C
InChI=1SC24H33NO5c114541023(2)111920(2124(1423)3021)17(22(28)2919)1225(3)1318(27)156816(26)9715h691417212627H451013H213H3t1417?18?19+20+2123+24m0s1
MFCD32650007
ZINC000004073794
ZINC000035361976
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