Vitas-M small molecule compound

2-[(11aS)-5-(3-chlorophenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-cyclohexylbenzamide

Catalog ID
STL533077
SMILES Clc1cccc(c1)C1N2[C@@H](Cc3c1[nH]c1c3cccc1)C(=O)N(C2=O)c1ccccc1C(=O)NC1CCCCC1

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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 C32H29ClN4O3 MW 553.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29ClN4O3/c33-20-10-8-9-19(17-20)29-28-24(22-13-4-6-15-25(22)35-28)18-27-31(39)37(32(40)36(27)29)26-16-7-5-14-23(26)30(38)34-21-11-2-1-3-12-21/h4-10,13-17,21,27,29,35H,1-3,11-12,18H2,(H,34,38)/t27-,29?/m0/s1
InChIKey
COKFRBPAUMWKIT-BVOOQYFDSA-N
Synonyms
956918-34-6
16405869
2((11aS)5(3chlorophenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)Ncyclohexylbenzamide
2((11aS)5(3chlorophenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)Ncyclohexylbenzamide
2((15~(S))10(3chlorophenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)~(N)cyclohexylbenzamide
956918346
Clc1cccc(c1)C1N2(C@@H)(Cc3c1(nH)c1c3cccc1)C(=O)N(C2=O)c1ccccc1C(=O)NC1CCCCC1
InChI=1SC32H29ClN4O3c3320108919(1720)292824(2213461525(22)3528)182731(39)37(32(40)36(27)29)2616751423(26)30(38)3421112131221h410131721272935H13111218H2(H3438)t2729?m0s1
ZINC000070706081
ZINC000070706084

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Available files

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