Vitas-M small molecule compound

N-(2-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
STL530062
SMILES COc1ccccc1CNC(=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/c1-21-11-13-22(14-12-21)32-31-27(26-8-4-5-9-28(26)37-31)19-29-34(41)38(35(42)39(29)32)25-17-15-23(16-18-25)33(40)36-20-24-7-3-6-10-30(24)43-2/h3-18,29,32,37H,19-20H2,1-2H3,(H,36,40)/t29-,32?/m0/s1
InChIKey
ZMGNTBDATAQGJK-QGFKTNLFSA-N
Synonyms
956965-36-9
~(N)((2methoxyphenyl)methyl)4((15~(S))10(4methylphenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)benzamide
16405899
4((11aS)13dioxo5(ptolyl)1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)N(2methoxybenzyl)benzamide
956965369
COc1ccccc1CNC(=O)c1ccc(cc1)N1C(=O)(C@H)2N(C1=O)C(c1ccc(cc1)C)c1c(C2)c2ccccc2(nH)1
InChI=1SC35H30N4O4c121111322(141221)323127(26845928(26)3731)192934(41)38(35(42)39(29)32)25171523(161825)33(40)3620247361030(24)432h318293237H1920H212H3(H3640)t2932?m0s1
N(2methoxybenzyl)4((11aS)5(4methylphenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)benzamide
ZINC000070706207
ZINC000070706212

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Available files

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