Vitas-M small molecule compound

4-[(11aS)-5-(3-methoxyphenyl)-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
STL533216
SMILES COc1cccc(c1)C1N2C(=O)N(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)c1ccc(cc1)C(=O)NCc1ccc(cc1)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 C35H30N4O4 MW 570.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H30N4O4/c1-21-10-12-22(13-11-21)20-36-33(40)23-14-16-25(17-15-23)38-34(41)30-19-28-27-8-3-4-9-29(27)37-31(28)32(39(30)35(38)42)24-6-5-7-26(18-24)43-2/h3-18,30,32,37H,19-20H2,1-2H3,(H,36,40)/t30-,32?/m0/s1
InChIKey
LWGJIVPDOMZDGV-TZYYSAMKSA-N
Synonyms
956918-59-5
16405944
4((11aS)5(3methoxyphenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)N(4methylbenzyl)benzamide
4((11aS)5(3methoxyphenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)N(4methylbenzyl)benzamide
4((15~(S))10(3methoxyphenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)~(N)((4methylphenyl)methyl)benzamide
956918595
COc1cccc(c1)C1N2C(=O)N(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)c1ccc(cc1)C(=O)NCc1ccc(cc1)C
InChI=1SC35H30N4O4c121101222(131121)203633(40)23141625(171523)3834(41)30192827834929(27)3731(28)32(39(30)35(38)42)2465726(1824)432h318303237H1920H212H3(H3640)t3032?m0s1
ZINC000070706327
ZINC000070706331

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Available files

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