Vitas-M small molecule compound

3-{2-[(6R,6aR,13R,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-yl]-2-oxoethyl}-7-hydroxy-4,8-dimethyl-2H-chromen-2-one

Catalog ID
STL535281
SMILES O=C(N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31)Cc1c(=O)oc2c(c1C)ccc(c2C)O

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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 C28H34N2O4 MW 462.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O4/c1-16-21-8-9-24(31)17(2)27(21)34-28(33)22(16)14-25(32)30-11-5-6-18-12-19-13-20(26(18)30)15-29-10-4-3-7-23(19)29/h8-9,12,19-20,23,26,31H,3-7,10-11,13-15H2,1-2H3/t19-,20+,23+,26+/m0/s1
InChIKey
JSTREGLAPOVMCR-XOKJFZFGSA-N
Synonyms
956912-56-4
16407765
3(2((1~(R)2~(S)9~(R)10~(R))315diazatetracyclo(7710^(27)0^(1015))heptadec7en3yl)2oxoethyl)7hydroxy48dimethylchromen2one
3(2((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)2oxoethyl)7hydroxy48dimethyl2Hchromen2one
3(2((6R6aR13R13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)2oxoethyl)7hydroxy48dimethyl2Hchromen2one
956912564
InChI=1SC28H34N2O4c116218924(31)17(2)27(21)3428(33)22(16)1425(32)3011561812191320(26(18)30)15291043723(19)29h89121920232631H3710111315H212H3t1920+23+26+m0s1
MFCD08742086
O=C(N1CCCC2=C(C@H)3C(C@@H)((C@H)12)CN1CCCC(C@H)31)Cc1c(=O)oc2c(c1C)ccc(c2C)O
ZINC000008879804
ZINC8879804

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Available files

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