Vitas-M small molecule compound

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]-N-(4-phenylbutan-2-yl)benzamide

Catalog ID
STL533015
SMILES Fc1ccc(cc1)C1N2[C@@H](Cc3c1[nH]c1c3cccc1)C(=O)N(C2=O)c1ccccc1C(=O)NC(CCc1ccccc1)C

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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 C36H31FN4O3 MW 586.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H31FN4O3/c1-22(15-16-23-9-3-2-4-10-23)38-34(42)27-12-6-8-14-30(27)41-35(43)31-21-28-26-11-5-7-13-29(26)39-32(28)33(40(31)36(41)44)24-17-19-25(37)20-18-24/h2-14,17-20,22,31,33,39H,15-16,21H2,1H3,(H,38,42)/t22?,31-,33?/m0/s1
InChIKey
MSALAUKAXINPJB-WYRIATIFSA-N
Synonyms
957019-33-9
16405510
2((11aS)5(4fluorophenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)N(4phenylbutan2yl)benzamide
2((11aS)5(4fluorophenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)N(4phenylbutan2yl)benzamide
2((15~(S))10(4fluorophenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)~(N)(4phenylbutan2yl)benzamide
957019339
Fc1ccc(cc1)C1N2(C@@H)(Cc3c1(nH)c1c3cccc1)C(=O)N(C2=O)c1ccccc1C(=O)NC(CCc1ccccc1)C
InChI=1SC36H31FN4O3c122(15162393241023)3834(42)2712681430(27)4135(43)3121282611571329(26)3932(28)33(40(31)36(41)44)24171925(37)201824h214172022313339H151621H21H3(H3842)t22?3133?m0s1
ZINC000070704811
ZINC000070704820

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Available files

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