Vitas-M small molecule compound
N-{(2S)-4-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]pentanoyl}-D-alanine
Catalog ID
STL532495
SMILES CC(C[C@H](N1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3)C(=O)N[C@@H](C(=O)O)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 C23H28N4O5 MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O5/c1-12(2)11-17(19(28)24-13(3)20(29)30)27-21(31)23(4)18-15(9-10-26(23)22(27)32)14-7-5-6-8-16(14)25-18/h5-8,12-13,17,25H,9-11H2,1-4H3,(H,24,28)(H,29,30)/t13-,17+,23+/m1/s1InChIKey
XIIBSDVOMUVKRA-ZZKQDXLVSA-NSynonyms
956929-34-3(2~(R))2(((2~(S))4methyl2((2~(S))2methyl35dioxo4616triazatetracyclo(7700^(26)0^(1015))hexadeca1(9)101214tetraen4yl)pentanoyl)amino)propanoicacid
(S)2((S)4methyl2((S)11bmethyl13dioxo56dihydro1Himidazo(1512)pyrido(34b)indol2(3H11H11bH)yl)pentanamido)propanoicacid
16403450
956929343
CC(C(C@H)(N1C(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1CC2)cccc3)C(=O)N(C@H)(C(=O)O)C)C
InChI=1SC23H28N4O5c112(2)1117(19(28)2413(3)20(29)30)2721(31)23(4)1815(91026(23)22(27)32)14756816(14)2518h5812131725H911H214H3(H2428)(H2930)t1317+23+m1s1
N((2S)4methyl2((11bS)11bmethyl13dioxo561111btetrahydro1Himidazo(1512)pyrido(34b)indol2(3H)yl)pentanoyl)Dalanine
ZINC000012880257
ZINC12880257
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.