Vitas-M small molecule compound
(12aS)-2-cyclooctyl-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL538199
SMILES O=C1CN(C2CCCCCCC2)C(=O)[C@H]2N1C(c1ccccc1)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 C28H31N3O2 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O2/c32-25-18-30(20-13-7-2-1-3-8-14-20)28(33)24-17-22-21-15-9-10-16-23(21)29-26(22)27(31(24)25)19-11-5-4-6-12-19/h4-6,9-12,15-16,20,24,27,29H,1-3,7-8,13-14,17-18H2/t24-,27?/m0/s1InChIKey
YAQKSTRKTJPXOJ-BXXZMZEQSA-NSynonyms
956955-71-8(12aS)2cyclooctyl6phenyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2cyclooctyl6phenyl23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6cyclooctyl2phenyl3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401092
956955718
InChI=1SC28H31N3O2c32251830(2013721381420)28(33)24172221159101623(21)2926(22)27(31(24)25)19115461219h46912151620242729H137813141718H2t2427?m0s1
MFCD05672778
O=C1CN(C2CCCCCCC2)C(=O)(C@H)2N1C(c1ccccc1)c1c(C2)c2c((nH)1)cccc2
ZINC000002113310
ZINC000002113312
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