Vitas-M small molecule compound
(12bS)-2-butyl-7-(2-ethoxy-3-methoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528757
SMILES CCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1cccc(c1OCC)OC)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 C28H33N3O4 MW 475.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O4/c1-5-7-15-30-17-23(32)31-16-20(18-12-10-14-22(34-4)25(18)35-6-2)24-19-11-8-9-13-21(19)29-26(24)28(31,3)27(30)33/h8-14,20,29H,5-7,15-17H2,1-4H3/t20?,28-/m0/s1InChIKey
LTJVWCZRCQAUIJ-GPIXMLASSA-NSynonyms
956925-68-1(12bS)2butyl7(2ethoxy3methoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2butyl7(2ethoxy3methoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4butyl9(2ethoxy3methoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402145
956925681
CCCCN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1cccc(c1OCC)OC)cccc3
InChI=1SC28H33N3O4c15715301723(32)311620(1812101422(344)25(18)3562)241911891321(19)2926(24)28(313)27(30)33h8142029H571517H214H3t20?28m0s1
MFCD06493007
ZINC000012874443
ZINC000012874450
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