Vitas-M small molecule compound
(2S,5aR,6aR,9S,9aR)-9-(((1-benzylpiperidin-4-yl)amino)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one oxalate
Catalog ID
STL534426
SMILES O=C1O[C@H]2[C@@H](C1CNC1CCN(CC1)Cc1ccccc1)C1OC31[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 C27H38N2O3 MW 438.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2O3/c1-18-7-6-12-26(2)15-22-23(24-27(18,26)32-24)21(25(30)31-22)16-28-20-10-13-29(14-11-20)17-19-8-4-3-5-9-19/h3-5,8-9,18,20-24,28H,6-7,10-17H2,1-2H3/t18-,21?,22+,23+,24?,26+,27?/m0/s1InChIKey
XGQWRBZNQZVZFX-QQMOQPHUSA-NSynonyms
(2S5aR6aR9S9aR)9(((1benzylpiperidin4yl)amino)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)oneoxalate
(4~(R)8~(R)10~(R)14~(S))5(((1benzylpiperidin4yl)amino)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
16404793
InChI=1SC27H38N2O3c118761226(2)152223(2427(1826)3224)21(25(30)3122)162820101329(141120)17198435919h358918202428H671017H212H3t1821?22+23+24?26+27?m0s1
MFCD32649980
OC(=O)C(=O)OO=C1O(C@H)2(C@@H)(C1CNC1CCN(CC1)Cc1ccccc1)C1OC31(C@)(C2)(C)CCC(C@@H)3C
ZINC000008738317
ZINC000100776123
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