Vitas-M small molecule compound

N-(3,5-dimethoxybenzyl)-3-[(11bS)-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]benzamide

Catalog ID
STL536891
SMILES COc1cc(CNC(=O)c2cccc(c2)N2C(=O)N3[C@@](C2=O)(C)c2[nH]c4c(c2CC3)cccc4)cc(c1)OC

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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 C30H28N4O5 MW 524.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O5/c1-30-26-24(23-9-4-5-10-25(23)32-26)11-12-33(30)29(37)34(28(30)36)20-8-6-7-19(15-20)27(35)31-17-18-13-21(38-2)16-22(14-18)39-3/h4-10,13-16,32H,11-12,17H2,1-3H3,(H,31,35)/t30-/m0/s1
InChIKey
GNFZJBNPSJUQAM-PMERELPUSA-N
Synonyms
957031-38-8
(S)N(35dimethoxybenzyl)3(11bmethyl13dioxo56dihydro1Himidazo(1512)pyrido(34b)indol2(3H11H11bH)yl)benzamide
~(N)((35dimethoxyphenyl)methyl)3((2~(S))2methyl35dioxo4616triazatetracyclo(7700^(26)0^(1015))hexadeca1(9)101214tetraen4yl)benzamide
6571398
957031388
COc1cc(CNC(=O)c2cccc(c2)N2C(=O)N3(C@@)(C2=O)(C)c2(nH)c4c(c2CC3)cccc4)cc(c1)OC
InChI=1SC30H28N4O5c1302624(239451025(23)3226)111233(30)29(37)34(28(30)36)2086719(1520)27(35)3117181321(382)1622(1418)393h410131632H111217H213H3(H3135)t30m0s1
MFCD05672245
N(35dimethoxybenzyl)3((11bS)11bmethyl13dioxo561111btetrahydro1Himidazo(1512)pyrido(34b)indol2(3H)yl)benzamide
ZINC000012866744
ZINC12866744

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Available files

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