Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-9-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one hydrochloride
Catalog ID
STL527436
SMILES COc1cc2CN(CCc2cc1OC)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 C26H35NO5 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35NO5/c1-15-6-5-8-25(2)12-21-22(23-26(15,25)32-23)18(24(28)31-21)14-27-9-7-16-10-19(29-3)20(30-4)11-17(16)13-27/h10-11,15,18,21-23H,5-9,12-14H2,1-4H3/t15-,18?,21+,22+,23-,25+,26-/m0/s1InChIKey
YZFORQMYRJBQOB-CWZSTDLPSA-NSynonyms
(1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))5((67dimethoxy34dihydro1~(H)isoquinolin2yl)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
(1aR2S5aR6aR9S9aR9bS)9((67dimethoxy34dihydroisoquinolin2(1H)yl)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)onehydrochloride
16397058
COc1cc2CN(CCc2cc1OC)CC1C(=O)O(C@H)2(C@@H)1(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3CCl
InChI=1SC26H35NO5c11565825(2)122122(2326(1525)3223)18(24(28)3121)142797161019(293)20(304)1117(16)1327h101115182123H591214H214H3t1518?21+22+2325+26m0s1
MFCD32649858
ZINC000008763179
ZINC000012659926
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