Vitas-M small molecule compound
(12bS)-7-(2-ethoxy-3-methoxyphenyl)-2-(2-methoxyethyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL529172
SMILES COCCN1CC(=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 C27H31N3O5 MW 477.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O5/c1-5-35-24-17(10-8-12-21(24)34-4)19-15-30-22(31)16-29(13-14-33-3)26(32)27(30,2)25-23(19)18-9-6-7-11-20(18)28-25/h6-12,19,28H,5,13-16H2,1-4H3/t19?,27-/m0/s1InChIKey
HYYYVYGPHMSIBG-NZVRHLSZSA-NSynonyms
957030-15-8(12bS)7(2ethoxy3methoxyphenyl)2(2methoxyethyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(2ethoxy3methoxyphenyl)2(2methoxyethyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(2ethoxy3methoxyphenyl)4(2methoxyethyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402158
957030158
COCCN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1cccc(c1OCC)OC)cccc3
InChI=1SC27H31N3O5c15352417(1081221(24)344)19153022(31)1629(1314333)26(32)27(302)2523(19)189671120(18)2825h6121928H51316H214H3t19?27m0s1
MFCD06493034
ZINC000012874537
ZINC000012874545
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