Vitas-M small molecule compound

(2S)-N-[2-(4-methoxyphenyl)ethyl]-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]propanamide

Catalog ID
STL548638
SMILES COc1ccc(cc1)CCNC(=O)[C@@H](N1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3)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 C26H28N4O4 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O4/c1-16(23(31)27-14-12-17-8-10-18(34-3)11-9-17)30-24(32)26(2)22-20(13-15-29(26)25(30)33)19-6-4-5-7-21(19)28-22/h4-11,16,28H,12-15H2,1-3H3,(H,27,31)/t16-,26-/m0/s1
InChIKey
VOZWTVJISAVWFI-QMTYFTJSSA-N
Synonyms
956933-04-3
(2~(S))~(N)(2(4methoxyphenyl)ethyl)2((2~(S))2methyl35dioxo4616triazatetracyclo(7700^(26)0^(1015))hexadeca1(9)101214tetraen4yl)propanamide
(2S)N(2(4methoxyphenyl)ethyl)2((11bS)11bmethyl13dioxo561111btetrahydro1Himidazo(1512)pyrido(34b)indol2(3H)yl)propanamide
(S)N(4methoxyphenethyl)2((S)11bmethyl13dioxo56dihydro1Himidazo(1512)pyrido(34b)indol2(3H11H11bH)yl)propanamide
16400549
956933043
COc1ccc(cc1)CCNC(=O)(C@@H)(N1C(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1CC2)cccc3)C
InChI=1SC26H28N4O4c116(23(31)2714121781018(343)11917)3024(32)26(2)2220(131529(26)25(30)33)19645721(19)2822h4111628H1215H213H3(H2731)t1626m0s1
ZINC000012865101
ZINC12865101

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Available files

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