Vitas-M small molecule compound

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

Catalog ID
STL537487
SMILES O=C1CN(C2CCCCC2)C(=O)[C@H]2N1C(C)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 C21H25N3O2 MW 351.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O2/c1-13-20-16(15-9-5-6-10-17(15)22-20)11-18-21(26)23(12-19(25)24(13)18)14-7-3-2-4-8-14/h5-6,9-10,13-14,18,22H,2-4,7-8,11-12H2,1H3/t13?,18-/m0/s1
InChIKey
LYEDWDLSOJPGCM-UWBLVGDVSA-N
Synonyms
957004-25-0
(12aS)2cyclohexyl6methyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2cyclohexyl6methyl23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6cyclohexyl2methyl3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399786
957004250
InChI=1SC21H25N3O2c1132016(159561017(15)2220)111821(26)23(1219(25)24(13)18)147324814h5691013141822H24781112H21H3t13?18m0s1
MFCD04145684
O=C1CN(C2CCCCC2)C(=O)(C@H)2N1C(C)c1c(C2)c2c((nH)1)cccc2
ZINC000002103947
ZINC000002103949

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Available files

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