Vitas-M small molecule compound
(12aS)-2-(3-butoxypropyl)-6-(2-ethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL548535
SMILES CCCCOCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccccc2OCC)[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 C29H35N3O4 MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N3O4/c1-3-5-16-35-17-10-15-31-19-26(33)32-24(29(31)34)18-22-20-11-6-8-13-23(20)30-27(22)28(32)21-12-7-9-14-25(21)36-4-2/h6-9,11-14,24,28,30H,3-5,10,15-19H2,1-2H3/t24-,28?/m0/s1InChIKey
RMECGAJLQSXPKZ-ZZDYIDRTSA-NSynonyms
956913-51-2(12aS)2(3butoxypropyl)6(2ethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(3butoxypropyl)6(2ethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6(3butoxypropyl)2(2ethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400447
956913512
CCCCOCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccccc2OCC)(nH)c2c1cccc2
InChI=1SC29H35N3O4c1351635171015311926(33)3224(29(31)34)18222011681323(20)3027(22)28(32)2112791425(21)3642h691114242830H35101519H212H3t2428?m0s1
MFCD05671423
ZINC000002110014
ZINC000008918228
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