Vitas-M small molecule compound

(2S)-N-(1-benzylpiperidin-4-yl)-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]butanamide

Catalog ID
STL530416
SMILES CC([C@H](N1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3)C(=O)NC1CCN(CC1)Cc1ccccc1)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 C31H37N5O3 MW 527.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37N5O3/c1-20(2)26(28(37)32-22-13-16-34(17-14-22)19-21-9-5-4-6-10-21)36-29(38)31(3)27-24(15-18-35(31)30(36)39)23-11-7-8-12-25(23)33-27/h4-12,20,22,26,33H,13-19H2,1-3H3,(H,32,37)/t26-,31-/m0/s1
InChIKey
MREAXUVKIBLUJE-HVNZXBJASA-N
Synonyms
956966-65-7
(2~(S))~(N)(1benzylpiperidin4yl)3methyl2((2~(S))2methyl35dioxo4616triazatetracyclo(7700^(26)0^(1015))hexadeca1(9)101214tetraen4yl)butanamide
(2S)N(1benzylpiperidin4yl)3methyl2((11bS)11bmethyl13dioxo561111btetrahydro1Himidazo(1512)pyrido(34b)indol2(3H)yl)butanamide
(S)N(1benzylpiperidin4yl)3methyl2((S)11bmethyl13dioxo56dihydro1Himidazo(1512)pyrido(34b)indol2(3H11H11bH)yl)butanamide
16402308
956966657
CC((C@H)(N1C(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1CC2)cccc3)C(=O)NC1CCN(CC1)Cc1ccccc1)C
InChI=1SC31H37N5O3c120(2)26(28(37)3222131634(171422)192195461021)3629(38)31(3)2724(151835(31)30(36)39)2311781225(23)3327h41220222633H1319H213H3(H3237)t2631m0s1
ZINC000012876003

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Available files

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