Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-9-(((S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL526702
SMILES COc1cc2c(cc1OC)CCN([C@H]2C)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 C27H37NO5 MW 455.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO5/c1-15-7-6-9-26(3)13-22-23(24-27(15,26)33-24)19(25(29)32-22)14-28-10-8-17-11-20(30-4)21(31-5)12-18(17)16(28)2/h11-12,15-16,19,22-24H,6-10,13-14H2,1-5H3/t15-,16-,19?,22+,23+,24-,26+,27-/m0/s1InChIKey
ZFZHYNHHVLSRHQ-YSNWMOQWSA-NSynonyms
1212428-74-4(1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))5(((1~(S))67dimethoxy1methyl34dihydro1~(H)isoquinolin2yl)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
(1aR2S5aR6aR9S9aR9bS)9(((S)67dimethoxy1methyl34dihydroisoquinolin2(1H)yl)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
1212428744
16397630
COc1cc2c(cc1OC)CCN((C@H)2C)CC1C(=O)O(C@H)2(C@@H)1(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C
InChI=1SC27H37NO5c11576926(3)132223(2427(1526)3324)19(25(29)3222)1428108171120(304)21(315)1218(17)16(28)2h11121516192224H6101314H215H3t151619?22+23+2426+27m0s1
MFCD32649846
ZINC000008681868
ZINC000012660785
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.