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-(4-ethoxyphenyl)benzamide

Catalog ID
STL531264
SMILES CCOc1ccc(cc1)NC(=O)c1ccccc1N1C(=O)[C@H]2N(C1=O)C(c1cccc(c1)Cl)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 C34H27ClN4O4 MW 591.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H27ClN4O4/c1-2-43-23-16-14-22(15-17-23)36-32(40)25-11-4-6-13-28(25)39-33(41)29-19-26-24-10-3-5-12-27(24)37-30(26)31(38(29)34(39)42)20-8-7-9-21(35)18-20/h3-18,29,31,37H,2,19H2,1H3,(H,36,40)/t29-,31?/m0/s1
InChIKey
JCIUWLQETMNXMC-QHSFNAQHSA-N
Synonyms
956823-68-0
16405636
2((11aS)5(3chlorophenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)N(4ethoxyphenyl)benzamide
2((11aS)5(3chlorophenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)N(4ethoxyphenyl)benzamide
2((15~(S))10(3chlorophenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)~(N)(4ethoxyphenyl)benzamide
956823680
CCOc1ccc(cc1)NC(=O)c1ccccc1N1C(=O)(C@H)2N(C1=O)C(c1cccc(c1)Cl)c1c(C2)c2ccccc2(nH)1
InChI=1SC34H27ClN4O4c124323161422(151723)3632(40)2511461328(25)3933(41)2919262410351227(24)3730(26)31(38(29)34(39)42)2087921(35)1820h318293137H219H21H3(H3640)t2931?m0s1
MFCD08002425
ZINC000070705188
ZINC000070705211

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Available files

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