Vitas-M small molecule compound
(12bR)-2-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL536670
SMILES CCOc1ccc(cc1OC)/C=N/N1CC(=O)N2[C@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3
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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 C25H26N4O4 MW 446.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O4/c1-4-33-20-10-9-16(13-21(20)32-3)14-26-29-15-22(30)28-12-11-18-17-7-5-6-8-19(17)27-23(18)25(28,2)24(29)31/h5-10,13-14,27H,4,11-12,15H2,1-3H3/b26-14+/t25-/m1/s1InChIKey
SIQQSLXWQBWWQN-JRCVBZDQSA-NSynonyms
956993-49-0(12bR)2(((E)(4ethoxy3methoxyphenyl)methylidene)amino)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(2~(R))4((~(E))(4ethoxy3methoxyphenyl)methylideneamino)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
(RE)2((4ethoxy3methoxybenzylidene)amino)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
16398567
956993490
CCOc1ccc(cc1OC)C=NN1CC(=O)N2(C@)(C1=O)(C)c1(nH)c3c(c1CC2)cccc3
InChI=1SC25H26N4O4c14332010916(1321(20)323)1426291522(30)2812111817756819(17)2723(18)25(282)24(29)31h510131427H4111215H213H3b2614+t25m1s1
MFCD03850360
ZINC000009033946
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