Vitas-M small molecule compound
N-{(2S)-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanoyl}-D-valine
Catalog ID
STL528776
SMILES COc1ccc2c(c1)c1CCN3[C@](c1[nH]2)(C)C(=O)N(C3=O)[C@H](C(=O)N[C@@H](C(=O)O)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 C23H28N4O6 MW 456.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O6/c1-11(2)17(20(29)30)25-19(28)12(3)27-21(31)23(4)18-14(8-9-26(23)22(27)32)15-10-13(33-5)6-7-16(15)24-18/h6-7,10-12,17,24H,8-9H2,1-5H3,(H,25,28)(H,29,30)/t12-,17+,23-/m0/s1InChIKey
OQTAMHKNOCDEJY-OXHXPWTGSA-NSynonyms
956999-73-8(2~(R))2(((2~(S))2((2~(S))12methoxy2methyl35dioxo4616triazatetracyclo(7700^(26)0^(1015))hexadeca1(9)10(15)1113tetraen4yl)propanoyl)amino)3methylbutanoicacid
(R)2((S)2((S)8methoxy11bmethyl13dioxo56dihydro1Himidazo(1512)pyrido(34b)indol2(3H11H11bH)yl)propanamido)3methylbutanoicacid
16402019
956999738
COc1ccc2c(c1)c1CCN3(C@)(c1(nH)2)(C)C(=O)N(C3=O)(C@H)(C(=O)N(C@@H)(C(=O)O)C(C)C)C
InChI=1SC23H28N4O6c111(2)17(20(29)30)2519(28)12(3)2721(31)23(4)1814(8926(23)22(27)32)151013(335)6716(15)2418h6710121724H89H215H3(H2528)(H2930)t1217+23m0s1
N((2S)2((11bS)8methoxy11bmethyl13dioxo561111btetrahydro1Himidazo(1512)pyrido(34b)indol2(3H)yl)propanoyl)Dvaline
ZINC000012873317
ZINC12873317
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.