Vitas-M small molecule compound
(2E)-{[(12aS)-1,4-dioxo-3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]imino}ethanoic acid
Catalog ID
STL457997
SMILES OC(=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 C16H14N4O4 MW 326.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O4/c21-14-8-20(17-6-15(22)23)16(24)13-5-10-9-3-1-2-4-11(9)18-12(10)7-19(13)14/h1-4,6,13,18H,5,7-8H2,(H,22,23)/b17-6+/t13-/m0/s1InChIKey
GFQPNHLYABUHBF-WJXQYMNISA-NSynonyms
(2E)(((12aS)14dioxo34671212ahexahydropyrazino(1216)pyrido(34b)indol2(1H)yl)imino)ethanoicacid
(2E)2(((12aS)14diketo671212atetrahydro3Hpyrazino(12b)$bcarbolin2yl)imino)aceticacid
(SZ)2((14dioxo341212atetrahydropyrazino(1216)pyrido(34b)indol2(1H6H7H)yl)imino)aceticacid
C1C2C(=O)N(CC(=O)N2CC3=C1C4=CC=CC=C4N3)N=CC(=O)O
InChI=1SC16H14N4O4c2114820(17615(22)23)16(24)135109312411(9)1812(10)719(13)14h1461318H578H2(H2223)b176+t13m0s1
OC(=O)C=NN1CC(=O)N2(C@H)(C1=O)Cc1c(C2)(nH)c2c1cccc2
ZINC000000489752
ZINC12662284
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