Vitas-M small molecule compound

(3R,3aS,5aS,9bS)-3-((2,6-dimethylmorpholino)methyl)-5a,9-dimethyl-3a,4,5,5a-tetrahydronaphtho[1,2-b]furan-2,8(3H,9bH)-dione

Catalog ID
STL525466
SMILES CC1CN(CC(O1)C)CC1C(=O)O[C@H]2[C@H]1CC[C@@]1(C2=C(C)C(=O)C=C1)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 C21H29NO4 MW 359.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29NO4/c1-12-9-22(10-13(2)25-12)11-16-15-5-7-21(4)8-6-17(23)14(3)18(21)19(15)26-20(16)24/h6,8,12-13,15-16,19H,5,7,9-11H2,1-4H3/t12?,13?,15-,16?,19-,21-/m0/s1
InChIKey
GDXMPYQBACNJOM-JNIRPKGXSA-N
Synonyms
1212471-11-8
(3~(a)~(S)5~(a)~(S)9~(b)~(S))3((26dimethylmorpholin4yl)methyl)5~(a)9dimethyl3~(a)459~(b)tetrahydro3~(H)benzo(g)(1)benzofuran28dione
(3R3aS5aS9bS)3((26dimethylmorpholino)methyl)5a9dimethyl3a455atetrahydronaphtho(12b)furan28(3H9bH)dione
1212471118
16398131
CC1CN(CC(O1)C)CC1C(=O)O(C@H)2(C@H)1CC(C@@)1(C2=C(C)C(=O)C=C1)C
InChI=1SC21H29NO4c112922(1013(2)2512)1116155721(4)8617(23)14(3)18(21)19(15)2620(16)24h681213151619H57911H214H3t12?13?1516?1921m0s1
ZINC000020114035
ZINC000035361842

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Available files

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