Vitas-M small molecule compound

N-{(2S)-3-methyl-2-[(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]butanoyl}-D-valine

Catalog ID
STL528801
SMILES CC([C@H](C(=O)O)NC(=O)[C@@H](N1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3)C(C)C)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 C24H30N4O5 MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N4O5/c1-12(2)17(21(30)31)26-20(29)18(13(3)4)28-22(32)24(5)19-15(10-11-27(24)23(28)33)14-8-6-7-9-16(14)25-19/h6-9,12-13,17-18,25H,10-11H2,1-5H3,(H,26,29)(H,30,31)/t17-,18+,24+/m1/s1
InChIKey
FOQWEGLHHJIBBB-YTZAWJCFSA-N
Synonyms

(2~(R))3methyl2(((2~(S))3methyl2((2~(S))2methyl35dioxo4616triazatetracyclo(7700^(26)0^(1015))hexadeca1(9)101214tetraen4yl)butanoyl)amino)butanoicacid
(S)3methyl2((S)3methyl2((S)11bmethyl13dioxo56dihydro1Himidazo(1512)pyrido(34b)indol2(3H11H11bH)yl)butanamido)butanoicacid
135639381
CC((C@@H)(C(=O)O)NC(=O)(C@@H)(N1C(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1CC2)cccc3)C(C)C)C
InChI=1SC24H30N4O5c112(2)17(21(30)31)2620(29)18(13(3)4)2822(32)24(5)1915(101127(24)23(28)33)14867916(14)2519h691213171825H1011H215H3(H2629)(H3031)t1718+24+m1s1
N((2S)3methyl2((11bS)11bmethyl13dioxo561111btetrahydro1Himidazo(1512)pyrido(34b)indol2(3H)yl)butanoyl)Dvaline
ZINC000015958051

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Available files

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