Vitas-M small molecule compound

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

Catalog ID
STL530266
SMILES CC(c1ccc(cc1)C1N2[C@@H](Cc3c1[nH]c1c3cccc1)C(=O)N(C2=O)c1ccccc1C(=O)NC1CCCCC1)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 C35H36N4O3 MW 560.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36N4O3/c1-21(2)22-16-18-23(19-17-22)32-31-27(25-12-6-8-14-28(25)37-31)20-30-34(41)39(35(42)38(30)32)29-15-9-7-13-26(29)33(40)36-24-10-4-3-5-11-24/h6-9,12-19,21,24,30,32,37H,3-5,10-11,20H2,1-2H3,(H,36,40)/t30-,32?/m0/s1
InChIKey
WQJCTRGIAYXRQC-TZYYSAMKSA-N
Synonyms
956966-87-3
~(N)cyclohexyl2((15~(S))1214dioxo10(4propan2ylphenyl)81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)benzamide
16402431
956966873
CC(c1ccc(cc1)C1N2(C@@H)(Cc3c1(nH)c1c3cccc1)C(=O)N(C2=O)c1ccccc1C(=O)NC1CCCCC1)C
InChI=1SC35H36N4O3c121(2)22161823(191722)323127(2512681428(25)3731)203034(41)39(35(42)38(30)32)2915971326(29)33(40)3624104351124h6912192124303237H35101120H212H3(H3640)t3032?m0s1
MFCD06493639
Ncyclohexyl2((11aS)13dioxo5(4(propan2yl)phenyl)561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)benzamide
Ncyclohexyl2((11aS)5(4isopropylphenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzamide
ZINC000002130199
ZINC000002130200

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Available files

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