Vitas-M small molecule compound

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]-N-(4-fluorophenyl)benzamide

Catalog ID
STL532026
SMILES Fc1ccc(cc1)NC(=O)c1ccccc1N1C(=O)[C@H]2N(C1=O)C(c1ccc(cc1)C(C)C)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 C35H29FN4O3 MW 572.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H29FN4O3/c1-20(2)21-11-13-22(14-12-21)32-31-27(25-7-3-5-9-28(25)38-31)19-30-34(42)40(35(43)39(30)32)29-10-6-4-8-26(29)33(41)37-24-17-15-23(36)16-18-24/h3-18,20,30,32,38H,19H2,1-2H3,(H,37,41)/t30-,32?/m0/s1
InChIKey
IEFWPVSPEKXUTE-TZYYSAMKSA-N
Synonyms
956925-69-2
16402146
2((11aS)13dioxo5(4(propan2yl)phenyl)561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)N(4fluorophenyl)benzamide
2((15~(S))1214dioxo10(4propan2ylphenyl)81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)~(N)(4fluorophenyl)benzamide
956925692
Fc1ccc(cc1)NC(=O)c1ccccc1N1C(=O)(C@H)2N(C1=O)C(c1ccc(cc1)C(C)C)c1c(C2)c2ccccc2(nH)1
InChI=1SC35H29FN4O3c120(2)21111322(141221)323127(25735928(25)3831)193034(42)40(35(43)39(30)32)291064826(29)33(41)3724171523(36)161824h31820303238H19H212H3(H3741)t3032?m0s1
MFCD06493008
N(4fluorophenyl)2((11aS)5(4isopropylphenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzamide
ZINC000002128384
ZINC000002128386

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Available files

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