Vitas-M small molecule compound

N-(4-methoxybenzyl)-4-[(11aS)-5-(4-methylphenyl)-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
STL532689
SMILES COc1ccc(cc1)CNC(=O)c1ccc(cc1)N1C(=O)[C@H]2N(C1=O)C(c1ccc(cc1)C)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 C35H30N4O4 MW 570.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H30N4O4/c1-21-7-11-23(12-8-21)32-31-28(27-5-3-4-6-29(27)37-31)19-30-34(41)38(35(42)39(30)32)25-15-13-24(14-16-25)33(40)36-20-22-9-17-26(43-2)18-10-22/h3-18,30,32,37H,19-20H2,1-2H3,(H,36,40)/t30-,32?/m0/s1
InChIKey
LKRVWDPKVDSKFP-TZYYSAMKSA-N
Synonyms
956937-85-2
~(N)((4methoxyphenyl)methyl)4((15~(S))10(4methylphenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)benzamide
16406310
4((11aS)13dioxo5(ptolyl)1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)N(4methoxybenzyl)benzamide
956937852
COc1ccc(cc1)CNC(=O)c1ccc(cc1)N1C(=O)(C@H)2N(C1=O)C(c1ccc(cc1)C)c1c(C2)c2ccccc2(nH)1
InChI=1SC35H30N4O4c12171123(12821)323128(27534629(27)3731)193034(41)38(35(42)39(30)32)25151324(141625)33(40)36202291726(432)181022h318303237H1920H212H3(H3640)t3032?m0s1
N(4methoxybenzyl)4((11aS)5(4methylphenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)benzamide
ZINC000070707556
ZINC000070707559

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Available files

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