Vitas-M small molecule compound
(12bS)-2-(3-hydroxypropyl)-7-[3-methoxy-4-(propan-2-yloxy)phenyl]-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL529536
SMILES OCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1ccc(c(c1)OC)OC(C)C)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 C28H33N3O5 MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O5/c1-17(2)36-22-11-10-18(14-23(22)35-4)20-15-31-24(33)16-30(12-7-13-32)27(34)28(31,3)26-25(20)19-8-5-6-9-21(19)29-26/h5-6,8-11,14,17,20,29,32H,7,12-13,15-16H2,1-4H3/t20?,28-/m0/s1InChIKey
WZNKHIBOTIKUOW-GPIXMLASSA-NSynonyms
957045-06-6(12bS)2(3hydroxypropyl)7(3methoxy4(propan2yloxy)phenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(3hydroxypropyl)7(4isopropoxy3methoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4(3hydroxypropyl)9(3methoxy4propan2yloxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403029
957045066
InChI=1SC28H33N3O5c117(2)3622111018(1423(22)354)20153124(33)1630(1271332)27(34)28(313)2625(20)19856921(19)2926h568111417202932H712131516H214H3t20?28m0s1
MFCD06494925
OCCCN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1ccc(c(c1)OC)OC(C)C)cccc3
ZINC000008789308
ZINC000012878930
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.