Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-((butylamino)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL562401
SMILES CCCCNCC1C(=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 C19H31NO2 MW 305.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H31NO2/c1-4-5-9-20-12-15-14-10-16-13(2)7-6-8-19(16,3)11-17(14)22-18(15)21/h10,13-15,17,20H,4-9,11-12H2,1-3H3/t13-,14+,15?,17+,19+/m0/s1InChIKey
BVBAULRKXUPBJA-UZRLAVFOSA-NSynonyms
956931-62-7(3aR5S8aR9aR)3(butylaminomethyl)58adimethyl33a567899aoctahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3((butylamino)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16397077
956931627
CCCCNCC1C(=O)O(C@H)2(C@@H)1C=C1(C@@H)(C)CCC(C@@)1(C2)C
InChI=1SC19H31NO2c145920121514101613(2)76819(163)1117(14)2218(15)21h1013151720H491112H213H3t1314+15?17+19+m0s1
MFCD32651247
ZINC000004028615
ZINC000012659964
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