Vitas-M small molecule compound
(2S,3R)-3-methyl-2-((S)-3-methyl-2-((S)-11b-methyl-1,3-dioxo-5,6-dihydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H,11H,11bH)-yl)butanamido)pentanoic acid
Catalog ID
STL533187
SMILES CCC([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 C25H32N4O5 MW 468.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O5/c1-6-14(4)18(22(31)32)27-21(30)19(13(2)3)29-23(33)25(5)20-16(11-12-28(25)24(29)34)15-9-7-8-10-17(15)26-20/h7-10,13-14,18-19,26H,6,11-12H2,1-5H3,(H,27,30)(H,31,32)/t14?,18-,19-,25-/m0/s1InChIKey
KDMLCMAVOWBBFJ-OQQQMIMUSA-NSynonyms
956977-27-8(2~(S))3methyl2(((2~(S))3methyl2((2~(S))2methyl35dioxo4616triazatetracyclo(7700^(26)0^(1015))hexadeca1(9)101214tetraen4yl)butanoyl)amino)pentanoicacid
(2S3R)3methyl2((S)3methyl2((S)11bmethyl13dioxo56dihydro1Himidazo(1512)pyrido(34b)indol2(3H11H11bH)yl)butanamido)pentanoicacid
16402675
956977278
CCC((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=1SC25H32N4O5c1614(4)18(22(31)32)2721(30)19(13(2)3)2923(33)25(5)2016(111228(25)24(29)34)159781017(15)2620h7101314181926H61112H215H3(H2730)(H3132)t14?181925m0s1
ZINC000012877921
ZINC000012877929
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