Vitas-M small molecule compound
(12aS)-2-cyclohexyl-6-(2-methylphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537476
SMILES O=C1CN(C2CCCCC2)C(=O)[C@H]2N1C(c1ccccc1C)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 C27H29N3O2 MW 427.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O2/c1-17-9-5-6-12-19(17)26-25-21(20-13-7-8-14-22(20)28-25)15-23-27(32)29(16-24(31)30(23)26)18-10-3-2-4-11-18/h5-9,12-14,18,23,26,28H,2-4,10-11,15-16H2,1H3/t23-,26?/m0/s1InChIKey
BDBPXXGUCDUYOI-ZZHFZYNASA-NSynonyms
956970-76-6(12aS)2cyclohexyl6(2methylphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2cyclohexyl6(otolyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6cyclohexyl2(2methylphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401534
956970766
InChI=1SC27H29N3O2c1179561219(17)262521(2013781422(20)2825)152327(32)29(1624(31)30(23)26)18103241118h59121418232628H2410111516H21H3t2326?m0s1
MFCD05675170
O=C1CN(C2CCCCC2)C(=O)(C@H)2N1C(c1ccccc1C)c1c(C2)c2c((nH)1)cccc2
ZINC000002159271
ZINC000002159274
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