Vitas-M small molecule compound
(2E)-2-{[(12aS)-1,4-dioxo-3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]imino}-N-[2-(4-methoxyphenyl)ethyl]ethanamide
Catalog ID
STL542083
SMILES COc1ccc(cc1)CCNC(=O)/C=N/N1CC(=O)N2[C@H](C1=O)Cc1c(C2)[nH]c2c1cccc2
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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 C25H25N5O4 MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5O4/c1-34-17-8-6-16(7-9-17)10-11-26-23(31)13-27-30-15-24(32)29-14-21-19(12-22(29)25(30)33)18-4-2-3-5-20(18)28-21/h2-9,13,22,28H,10-12,14-15H2,1H3,(H,26,31)/b27-13+/t22-/m0/s1InChIKey
YBHRZTOJJKFLEW-IQFHQVDXSA-NSynonyms
956964-66-2(2~(E))2(((8~(S))47dioxo3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen6yl)imino)~(N)(2(4methoxyphenyl)ethyl)acetamide
(2E)2(((12aS)14dioxo34671212ahexahydropyrazino(1216)pyrido(34b)indol2(1H)yl)imino)N(2(4methoxyphenyl)ethyl)ethanamide
(SE)2((14dioxo341212atetrahydropyrazino(1216)pyrido(34b)indol2(1H6H7H)yl)imino)N(4methoxyphenethyl)acetamide
9560541
956964662
COc1ccc(cc1)CCNC(=O)C=NN1CC(=O)N2(C@H)(C1=O)Cc1c(C2)(nH)c2c1cccc2
InChI=1SC25H25N5O4c134178616(7917)10112623(31)1327301524(32)29142119(1222(29)25(30)33)18423520(18)2821h29132228H10121415H21H3(H2631)b2713+t22m0s1
MFCD04142194
ZINC000012662235
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