Vitas-M small molecule compound
methyl 4-[(E)-{[(12aS)-1,4-dioxo-3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]imino}methyl]benzoate
Catalog ID
STL536952
SMILES COC(=O)c1ccc(cc1)/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 C23H20N4O4 MW 416.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O4/c1-31-23(30)15-8-6-14(7-9-15)11-24-27-13-21(28)26-12-19-17(10-20(26)22(27)29)16-4-2-3-5-18(16)25-19/h2-9,11,20,25H,10,12-13H2,1H3/b24-11+/t20-/m0/s1InChIKey
XFHFMFCBAITELQ-DGPKFNOPSA-NSynonyms
956189-98-3(SE)methyl4(((14dioxo341212atetrahydropyrazino(1216)pyrido(34b)indol2(1H6H7H)yl)imino)methyl)benzoate
9560443
956189983
COC(=O)c1ccc(cc1)C=NN1CC(=O)N2(C@H)(C1=O)Cc1c(C2)(nH)c2c1cccc2
InChI=1SC23H20N4O4c13123(30)158614(7915)1124271321(28)26121917(1020(26)22(27)29)16423518(16)2519h29112025H101213H21H3b2411+t20m0s1
methyl4((~(E))((8~(S))47dioxo3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen6yl)iminomethyl)benzoate
methyl4((E)(((12aS)14dioxo34671212ahexahydropyrazino(1216)pyrido(34b)indol2(1H)yl)imino)methyl)benzoate
MFCD03853231
ZINC000004046532
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