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-(4-ethoxyphenyl)ethanamide
Catalog ID
STL548123
SMILES CCOc1ccc(cc1)NC(=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 C24H23N5O4 MW 445.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N5O4/c1-2-33-16-9-7-15(8-10-16)26-22(30)12-25-29-14-23(31)28-13-20-18(11-21(28)24(29)32)17-5-3-4-6-19(17)27-20/h3-10,12,21,27H,2,11,13-14H2,1H3,(H,26,30)/b25-12+/t21-/m0/s1InChIKey
ZAFOEJXSDPOZHC-PXYXSCDOSA-NSynonyms
956960-60-4(2~(E))2(((8~(S))47dioxo3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen6yl)imino)~(N)(4ethoxyphenyl)acetamide
(2E)2(((12aS)14dioxo34671212ahexahydropyrazino(1216)pyrido(34b)indol2(1H)yl)imino)N(4ethoxyphenyl)ethanamide
(SE)2((14dioxo341212atetrahydropyrazino(1216)pyrido(34b)indol2(1H6H7H)yl)imino)N(4ethoxyphenyl)acetamide
16401081
956960604
CCOc1ccc(cc1)NC(=O)C=NN1CC(=O)N2(C@H)(C1=O)Cc1c(C2)(nH)c2c1cccc2
InChI=1SC24H23N5O4c1233169715(81016)2622(30)1225291423(31)28132018(1121(28)24(29)32)17534619(17)2720h310122127H2111314H21H3(H2630)b2512+t21m0s1
MFCD05672728
ZINC000008951818
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