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-leucine

Catalog ID
STL578406
SMILES CC(C[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/c1-13(2)12-18(22(31)32)27-21(30)19(14(3)4)29-23(33)25(5)20-16(10-11-28(25)24(29)34)15-8-6-7-9-17(15)26-20/h6-9,13-14,18-19,26H,10-12H2,1-5H3,(H,27,30)(H,31,32)/t18-,19-,25-/m0/s1
InChIKey
KNDCTJAFIFLPFS-MHPIHPPYSA-N
Synonyms
956966-71-5
(S)4methyl2((S)3methyl2((S)11bmethyl13dioxo56dihydro1Himidazo(1512)pyrido(34b)indol2(3H11H11bH)yl)butanamido)pentanoicacid
956966715
CC(C(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=1SC25H32N4O5c113(2)1218(22(31)32)2721(30)19(14(3)4)2923(33)25(5)2016(101128(25)24(29)34)15867917(15)2620h691314181926H1012H215H3(H2730)(H3132)t181925m0s1
MFCD06493490
N((2S)3methyl2((11bS)11bmethyl13dioxo561111btetrahydro1Himidazo(1512)pyrido(34b)indol2(3H)yl)butanoyl)Lleucine

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Available files

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