Vitas-M small molecule compound

N-cyclohexyl-2-[(11aS)-5-(4-methoxyphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzamide

Catalog ID
STL529985
SMILES COc1ccc(cc1)C1N2[C@@H](Cc3c1[nH]c1c3cccc1)C(=O)N(C2=O)c1ccccc1C(=O)NC1CCCCC1

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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 C33H32N4O4 MW 548.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N4O4/c1-41-22-17-15-20(16-18-22)30-29-25(23-11-5-7-13-26(23)35-29)19-28-32(39)37(33(40)36(28)30)27-14-8-6-12-24(27)31(38)34-21-9-3-2-4-10-21/h5-8,11-18,21,28,30,35H,2-4,9-10,19H2,1H3,(H,34,38)/t28-,30?/m0/s1
InChIKey
PJDAAKSWFCSKGK-MBCWZBCWSA-N
Synonyms
956943-31-0
~(N)cyclohexyl2((15~(S))10(4methoxyphenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)benzamide
16405021
956943310
COc1ccc(cc1)C1N2(C@@H)(Cc3c1(nH)c1c3cccc1)C(=O)N(C2=O)c1ccccc1C(=O)NC1CCCCC1
InChI=1SC33H32N4O4c14122171520(161822)302925(2311571326(23)3529)192832(39)37(33(40)36(28)30)2714861224(27)31(38)342193241021h58111821283035H2491019H21H3(H3438)t2830?m0s1
MFCD06768781
Ncyclohexyl2((11aS)5(4methoxyphenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzamide
Ncyclohexyl2((11aS)5(4methoxyphenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)benzamide
ZINC000070701310
ZINC000070701312

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.