Vitas-M small molecule compound

(2E)-N-[2-(1H-indol-3-yl)ethyl]-2-[(12b-methyl-1,4-dioxo-3,4,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indol-2(1H)-yl)imino]ethanamide

Catalog ID
STL535533
SMILES O=C(/C=N/N1CC(=O)N2C(C1=O)(C)c1[nH]c3c(c1CC2)cccc3)NCCc1c[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 C27H26N6O3 MW 482.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N6O3/c1-27-25-20(19-7-3-5-9-22(19)31-25)11-13-32(27)24(35)16-33(26(27)36)30-15-23(34)28-12-10-17-14-29-21-8-4-2-6-18(17)21/h2-9,14-15,29,31H,10-13,16H2,1H3,(H,28,34)/b30-15+
InChIKey
BWPOTENCSAZYED-FJEPWZHXSA-N
Synonyms
1173501-75-1
(2~(E))~(N)(2(1~(H)indol3yl)ethyl)2((2methyl36dioxo4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraen4yl)imino)acetamide
(2E)N(2(1Hindol3yl)ethyl)2((12bmethyl14dioxo34671212bhexahydropyrazino(1212)pyrido(34b)indol2(1H)yl)imino)ethanamide
(E)N(2(1Hindol3yl)ethyl)2((12bmethyl14dioxo1346712bhexahydropyrazino(1212)pyrido(34b)indol2(12H)yl)imino)acetamide
1173501751
42648698
InChI=1SC27H26N6O3c1272520(19735922(19)3125)111332(27)24(35)1633(26(27)36)301523(34)28121017142921842618(17)21h2914152931H101316H21H3(H2834)b3015+
MFCD12029071
O=C(C=NN1CC(=O)N2C(C1=O)(C)c1(nH)c3c(c1CC2)cccc3)NCCc1c(nH)c2c1cccc2
ZINC000012296715
ZINC000012296716

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Available files

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