Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-5,8a-dimethyl-3-(((1-(octahydro-1H-2,5-methanoinden-4-yl)ethyl)amino)methyl)-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL526626
SMILES CC(C1C2CCC3C1CC(C2)C3)NCC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)C
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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 C27H41NO2 MW 411.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H41NO2/c1-15-5-4-8-27(3)13-24-21(12-23(15)27)22(26(29)30-24)14-28-16(2)25-19-7-6-18-9-17(10-19)11-20(18)25/h12,15-22,24-25,28H,4-11,13-14H2,1-3H3/t15-,16?,17?,18?,19?,20?,21+,22?,24+,25?,27+/m0/s1InChIKey
QYESPJZMQFTGIX-MRQZRGQKSA-NSynonyms
457071-98-6(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))58~(a)dimethyl3((1(7tricyclo(4310^(38))decanyl)ethylamino)methyl)33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)58adimethyl3(((1(octahydro1H25methanoinden4yl)ethyl)amino)methyl)33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16397486
457071986
CC(C1C2CCC3C1CC(C2)C3)NCC1C(=O)O(C@H)2(C@@H)1C=C1(C@@H)(C)CCC(C@@)1(C2)C
InChI=1SC27H41NO2c11554827(3)132421(1223(15)27)22(26(29)3024)142816(2)25197618917(1019)1120(18)25h121522242528H4111314H213H3t1516?17?18?19?20?21+22?24+25?27+m0s1
MFCD03006168
ZINC000252694864
ZINC000252694867
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