Vitas-M small molecule compound

3',5',11a'-trimethyl-4',6',7',11a'-tetrahydrospiro[cyclohexane-1,11'-[1,3]oxazolo[3',4':1,2]azepino[5,4,3-cd]indol]-9'-one

Catalog ID
STK774325
SMILES O=C1OC2(C3(N1CCc1c4c3ccc(c4[nH]c1C)C)C)CCCCC2

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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 C21H26N2O2 MW 338.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O2/c1-13-7-8-16-17-15(14(2)22-18(13)17)9-12-23-19(24)25-21(20(16,23)3)10-5-4-6-11-21/h7-8,22H,4-6,9-12H2,1-3H3
InChIKey
WROBRAPERGCHFE-UHFFFAOYSA-N
Synonyms

3511atrimethyl46711atetrahydrospiro(cyclohexane111(13)oxazolo(3412)azepino(543cd)indol)9one
CC1=C2C3=C(C=C1)C4(C5(CCCCC5)OC(=O)N4CCC3=C(N2)C)C
InChI=1SC21H26N2O2c11378161715(14(2)2218(13)17)9122319(24)2521(20(1623)3)105461121h7822H46912H213H3
MFCD04060571
O=C1OC2(C3(N1CCc1c4c3ccc(c4(nH)c1C)C)C)CCCCC2
ZINC000000118034
ZINC000000118038

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.