Vitas-M small molecule compound
(2E)-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]-N-(pyridin-4-ylmethyl)ethanamide
Catalog ID
STL535426
SMILES O=C(/C=N/N1CC(=O)N2C(C1=O)(C)c1[nH]c3c(c1CC2)cccc3)NCc1ccncc1
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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 C23H22N6O3 MW 430.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N6O3/c1-23-21-17(16-4-2-3-5-18(16)27-21)8-11-28(23)20(31)14-29(22(23)32)26-13-19(30)25-12-15-6-9-24-10-7-15/h2-7,9-10,13,27H,8,11-12,14H2,1H3,(H,25,30)/b26-13+InChIKey
CAOSELMMJNMNKZ-LGJNPRDNSA-NSynonyms
1173482-76-2(2~(E))2((2methyl36dioxo4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraen4yl)imino)~(N)(pyridin4ylmethyl)acetamide
(2E)2((12bmethyl14dioxo34671212bhexahydropyrazino(1212)pyrido(34b)indol2(1H)yl)imino)N(pyridin4ylmethyl)ethanamide
(E)2((12bmethyl14dioxo1346712bhexahydropyrazino(1212)pyrido(34b)indol2(12H)yl)imino)N(pyridin4ylmethyl)acetamide
1173482762
42648697
InChI=1SC23H22N6O3c1232117(16423518(16)2721)81128(23)20(31)1429(22(23)32)261319(30)251215692410715h279101327H8111214H21H3(H2530)b2613+
MFCD12029063
O=C(C=NN1CC(=O)N2C(C1=O)(C)c1(nH)c3c(c1CC2)cccc3)NCc1ccncc1
ZINC000012296706
ZINC000012296707
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