Vitas-M small molecule compound

(3S,3aR,4aS,8aR,9aR)-3-((didecylamino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one

Catalog ID
STL562371
SMILES CCCCCCCCCCN(CC1C(=O)O[C@H]2[C@@H]1C[C@H]1C(=C)CCC[C@@]1(C2)C)CCCCCCCCCC

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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 C35H63NO2 MW 529.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H63NO2/c1-5-7-9-11-13-15-17-19-24-36(25-20-18-16-14-12-10-8-6-2)28-31-30-26-32-29(3)22-21-23-35(32,4)27-33(30)38-34(31)37/h30-33H,3,5-28H2,1-2,4H3/t30-,31?,32+,33-,35-/m1/s1
InChIKey
KSDCXWDUOPZCGX-LWZNUTQISA-N
Synonyms
1212494-04-6
(3aR4aS8aR9aR)3((didecylamino)methyl)8amethyl5methylidene3a44a67899aoctahydro3Hbenzo(f)(1)benzofuran2one
(3S3aR4aS8aR9aR)3((didecylamino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
CCCCCCCCCCN(CC1C(=O)O(C@H)2(C@@H)1C(C@H)1C(=C)CCC(C@@)1(C2)C)CCCCCCCCCC
Registry IDs
MFCD32651240
ZINC000070664998
ZINC000070665001

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Available files

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