Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-(((2-methoxyphenethyl)amino)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL526219
SMILES COc1ccccc1CCNCC1C(=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 C24H33NO3 MW 383.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H33NO3/c1-16-7-6-11-24(2)14-22-18(13-20(16)24)19(23(26)28-22)15-25-12-10-17-8-4-5-9-21(17)27-3/h4-5,8-9,13,16,18-19,22,25H,6-7,10-12,14-15H2,1-3H3/t16-,18+,19?,22+,24+/m0/s1InChIKey
OIPXGHPONYZIRJ-OBZIRHJLSA-NSynonyms
956975-72-7(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3((2(2methoxyphenyl)ethylamino)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3(((2methoxyphenethyl)amino)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16396972
956975727
COc1ccccc1CCNCC1C(=O)O(C@H)2(C@@H)1C=C1(C@@H)(C)CCC(C@@)1(C2)C
InChI=1SC24H33NO3c116761124(2)142218(1320(16)24)19(23(26)2822)1525121017845921(17)273h4589131618192225H6710121415H213H3t1618+19?22+24+m0s1
MFCD32649821
ZINC000004028474
ZINC000012659789
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