Vitas-M small molecule compound

(12aS)-2-cyclooctyl-6-(2-phenylethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL538043
SMILES O=C1CN(C2CCCCCCC2)C(=O)[C@H]2N1C(CCc1ccccc1)c1c(C2)c2c([nH]1)cccc2

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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 C30H35N3O2 MW 469.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35N3O2/c34-28-20-32(22-13-7-2-1-3-8-14-22)30(35)27-19-24-23-15-9-10-16-25(23)31-29(24)26(33(27)28)18-17-21-11-5-4-6-12-21/h4-6,9-12,15-16,22,26-27,31H,1-3,7-8,13-14,17-20H2/t26?,27-/m0/s1
InChIKey
LXPZHKHJDSLDNW-GEVKEYJPSA-N
Synonyms
956912-01-9
(12aS)2cyclooctyl6(2phenylethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2cyclooctyl6phenethyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6cyclooctyl2(2phenylethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401452
956912019
InChI=1SC30H35N3O2c34282032(2213721381422)30(35)27192423159101625(23)3129(24)26(33(27)28)181721115461221h46912151622262731H137813141720H2t26?27m0s1
MFCD05674722
O=C1CN(C2CCCCCCC2)C(=O)(C@H)2N1C(CCc1ccccc1)c1c(C2)c2c((nH)1)cccc2
ZINC000002120046
ZINC000002120048

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Available files

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