Vitas-M small molecule compound

(11aS)-2-cyclohexyl-5-[4-(propan-2-yl)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione

Catalog ID
STL548500
SMILES O=C1N(C2CCCCC2)C(=O)N2[C@H]1Cc1c(C2c2ccc(cc2)C(C)C)[nH]c2c1cccc2

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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/c1-17(2)18-12-14-19(15-13-18)26-25-22(21-10-6-7-11-23(21)29-25)16-24-27(32)30(28(33)31(24)26)20-8-4-3-5-9-20/h6-7,10-15,17,20,24,26,29H,3-5,8-9,16H2,1-2H3/t24-,26?/m0/s1
InChIKey
JUKJYYXSCZQVDF-QSAPEBAKSA-N
Synonyms
956939-02-9
(11aS)2cyclohexyl5(4(propan2yl)phenyl)561111atetrahydro1Himidazo(1516)pyrido(34b)indole13(2H)dione
(11aS)2cyclohexyl5(4isopropylphenyl)561111atetrahydro1Himidazo(1516)pyrido(34b)indole13(2H)dione
(15~(S))13cyclohexyl10(4propan2ylphenyl)81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraene1214dione
16399316
956939029
InChI=1SC28H31N3O2c117(2)18121419(151318)262522(2110671123(21)2925)162427(32)30(28(33)31(24)26)208435920h6710151720242629H358916H212H3t2426?m0s1
MFCD04142903
O=C1N(C2CCCCC2)C(=O)N2(C@H)1Cc1c(C2c2ccc(cc2)C(C)C)(nH)c2c1cccc2
ZINC000002097980
ZINC000002097984

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Available files

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