Vitas-M small molecule compound

N-cyclooctyl-2-[(11aS)-5-(4-fluorophenyl)-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
STL532509
SMILES Fc1ccc(cc1)C1N2[C@@H](Cc3c1[nH]c1c3cccc1)C(=O)N(C2=O)c1ccccc1C(=O)NC1CCCCCCC1

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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 C34H33FN4O3 MW 564.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33FN4O3/c35-22-18-16-21(17-19-22)31-30-26(24-12-6-8-14-27(24)37-30)20-29-33(41)39(34(42)38(29)31)28-15-9-7-13-25(28)32(40)36-23-10-4-2-1-3-5-11-23/h6-9,12-19,23,29,31,37H,1-5,10-11,20H2,(H,36,40)/t29-,31?/m0/s1
InChIKey
ODWCHDUQYQLXJP-QHSFNAQHSA-N
Synonyms
957030-55-6
~(N)cyclooctyl2((15~(S))10(4fluorophenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)benzamide
16405462
957030556
Fc1ccc(cc1)C1N2(C@@H)(Cc3c1(nH)c1c3cccc1)C(=O)N(C2=O)c1ccccc1C(=O)NC1CCCCCCC1
InChI=1SC34H33FN4O3c3522181621(171922)313026(2412681427(24)3730)202933(41)39(34(42)38(29)31)2815971325(28)32(40)362310421351123h69121923293137H15101120H2(H3640)t2931?m0s1
Ncyclooctyl2((11aS)5(4fluorophenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzamide
Ncyclooctyl2((11aS)5(4fluorophenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)benzamide
ZINC000070704678
ZINC000070704681

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Available files

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