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}-L-alanine
Catalog ID
STL529938
SMILES OC(=O)[C@@H](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 C22H26N4O5 MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O5/c1-11(2)16(18(27)23-12(3)19(28)29)26-20(30)22(4)17-14(9-10-25(22)21(26)31)13-7-5-6-8-15(13)24-17/h5-8,11-12,16,24H,9-10H2,1-4H3,(H,23,27)(H,28,29)/t12-,16-,22-/m0/s1InChIKey
GXNGULFTZNPMGV-IEBOFQNGSA-NSynonyms
956913-94-3(2~(S))2(((2~(S))3methyl2((2~(S))2methyl35dioxo4616triazatetracyclo(7700^(26)0^(1015))hexadeca1(9)101214tetraen4yl)butanoyl)amino)propanoicacid
(S)2((S)3methyl2((S)11bmethyl13dioxo56dihydro1Himidazo(1512)pyrido(34b)indol2(3H11H11bH)yl)butanamido)propanoicacid
16403325
956913943
InChI=1SC22H26N4O5c111(2)16(18(27)2312(3)19(28)29)2620(30)22(4)1714(91025(22)21(26)31)13756815(13)2417h5811121624H910H214H3(H2327)(H2829)t121622m0s1
N((2S)3methyl2((11bS)11bmethyl13dioxo561111btetrahydro1Himidazo(1512)pyrido(34b)indol2(3H)yl)butanoyl)Lalanine
OC(=O)(C@@H)(NC(=O)(C@@H)(N1C(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1CC2)cccc3)C(C)C)C
ZINC000008789660
ZINC8789660
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.