Vitas-M small molecule compound

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

Catalog ID
STL531721
SMILES CC(CNC(=O)c1ccccc1N1C(=O)[C@H]2N(C1=O)C(c1ccccc1C)c1c(C2)c2ccccc2[nH]1)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 C31H30N4O3 MW 506.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O3/c1-18(2)17-32-29(36)22-13-7-9-15-25(22)35-30(37)26-16-23-21-12-6-8-14-24(21)33-27(23)28(34(26)31(35)38)20-11-5-4-10-19(20)3/h4-15,18,26,28,33H,16-17H2,1-3H3,(H,32,36)/t26-,28?/m0/s1
InChIKey
KRUUOHOEHXPTCQ-QODXOHEASA-N
Synonyms
956992-66-8
16405027
2((11aS)13dioxo5(otolyl)1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)Nisobutylbenzamide
2((11aS)5(2methylphenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)N(2methylpropyl)benzamide
2((15~(S))10(2methylphenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)~(N)(2methylpropyl)benzamide
956992668
CC(CNC(=O)c1ccccc1N1C(=O)(C@H)2N(C1=O)C(c1ccccc1C)c1c(C2)c2ccccc2(nH)1)C
InChI=1SC31H30N4O3c118(2)173229(36)2213791525(22)3530(37)2616232112681424(21)3327(23)28(34(26)31(35)38)2011541019(20)3h41518262833H1617H213H3(H3236)t2628?m0s1
MFCD06768794
ZINC000008791200
ZINC000008791202

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Available files

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