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-methylbenzyl)benzamide

Catalog ID
STL531897
SMILES Cc1ccc(cc1)CNC(=O)c1ccccc1N1C(=O)[C@H]2N(C1=O)C(c1ccc(cc1)F)c1c(C2)c2ccccc2[nH]1

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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 C34H27FN4O3 MW 558.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H27FN4O3/c1-20-10-12-21(13-11-20)19-36-32(40)25-7-3-5-9-28(25)39-33(41)29-18-26-24-6-2-4-8-27(24)37-30(26)31(38(29)34(39)42)22-14-16-23(35)17-15-22/h2-17,29,31,37H,18-19H2,1H3,(H,36,40)/t29-,31?/m0/s1
InChIKey
FTTNHIDFSOCUAL-QHSFNAQHSA-N
Synonyms
957030-81-8
16406103
2((11aS)5(4fluorophenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)N(4methylbenzyl)benzamide
2((11aS)5(4fluorophenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)N(4methylbenzyl)benzamide
2((15~(S))10(4fluorophenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)~(N)((4methylphenyl)methyl)benzamide
957030818
Cc1ccc(cc1)CNC(=O)c1ccccc1N1C(=O)(C@H)2N(C1=O)C(c1ccc(cc1)F)c1c(C2)c2ccccc2(nH)1
InChI=1SC34H27FN4O3c120101221(131120)193632(40)25735928(25)3933(41)29182624624827(24)3730(26)31(38(29)34(39)42)22141623(35)171522h217293137H1819H21H3(H3640)t2931?m0s1
ZINC000070706902
ZINC000070706903

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Available files

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