Vitas-M small molecule compound
methyl 4-[(E)-{[(12aS)-6,6-dimethyl-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
STL537913
SMILES COC(=O)c1ccc(cc1)/C=N/N1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[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 C25H24N4O4 MW 444.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O4/c1-25(2)22-18(17-6-4-5-7-19(17)27-22)12-20-23(31)28(14-21(30)29(20)25)26-13-15-8-10-16(11-9-15)24(32)33-3/h4-11,13,20,27H,12,14H2,1-3H3/b26-13+/t20-/m0/s1InChIKey
LAOWNDIXNLNKEC-SCRDLHCBSA-NSynonyms
957021-53-3(SE)methyl4(((66dimethyl14dioxo341212atetrahydropyrazino(1216)pyrido(34b)indol2(1H6H7H)yl)imino)methyl)benzoate
957021533
9620267
COC(=O)c1ccc(cc1)C=NN1CC(=O)N2(C@H)(C1=O)Cc1c(C2(C)C)(nH)c2c1cccc2
InChI=1SC25H24N4O4c125(2)2218(17645719(17)2722)122023(31)28(1421(30)29(20)25)26131581016(11915)24(32)333h411132027H1214H213H3b2613+t20m0s1
methyl4((~(E))((8~(S))22dimethyl47dioxo3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen6yl)iminomethyl)benzoate
methyl4((E)(((12aS)66dimethyl14dioxo34671212ahexahydropyrazino(1216)pyrido(34b)indol2(1H)yl)imino)methyl)benzoate
ZINC000002153135
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