Vitas-M small molecule compound

(2S,5aR,6aR,9S,9aR)-2,5a-dimethyl-9-((3-methylpiperidin-1-yl)methyl)octahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one

Catalog ID
STL548987
SMILES CC1CCCN(C1)CC1C(=O)O[C@H]2[C@@H]1C1OC31[C@](C2)(C)CCC[C@@H]3C

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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 C21H33NO3 MW 347.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H33NO3/c1-13-6-5-9-22(11-13)12-15-17-16(24-19(15)23)10-20(3)8-4-7-14(2)21(20)18(17)25-21/h13-18H,4-12H2,1-3H3/t13?,14-,15?,16+,17+,18?,20+,21?/m0/s1
InChIKey
CSUXALKSMYDBAB-OVSNNNPDSA-N
Synonyms

(1aR2S5aR6aR9S9aR9bS)25adimethyl9((3methylpiperidin1yl)methyl)octahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
(4~(R)8~(R)10~(R)14~(S))1014dimethyl5((3methylpiperidin1yl)methyl)27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
135639801
CC1CCCN(C1)CC1C(=O)O(C@H)2(C@@H)1(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C
InChI=1SC21H33NO3c11365922(1113)12151716(2419(15)23)1020(3)84714(2)21(20)18(17)2521h1318H412H213H3t13?1415?16+17+18?20+21?m0s1
MFCD32650056
ZINC000105366529
ZINC001772492826

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Available files

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