Vitas-M small molecule compound
(12aS)-2-(4,4-diethoxybutyl)-6-(2-ethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537548
SMILES CCOC(CCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccccc2OCC)[nH]c2c1cccc2)OCC
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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 C30H37N3O5 MW 519.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H37N3O5/c1-4-36-25-15-10-8-13-21(25)29-28-22(20-12-7-9-14-23(20)31-28)18-24-30(35)32(19-26(34)33(24)29)17-11-16-27(37-5-2)38-6-3/h7-10,12-15,24,27,29,31H,4-6,11,16-19H2,1-3H3/t24-,29?/m0/s1InChIKey
YZFQUSQBTKXFSA-CTLOQAHHSA-NSynonyms
956976-81-1(12aS)2(44diethoxybutyl)6(2ethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(44diethoxybutyl)6(2ethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6(44diethoxybutyl)2(2ethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400397
956976811
CCOC(CCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccccc2OCC)(nH)c2c1cccc2)OCC
InChI=1SC30H37N3O5c143625151081321(25)292822(2012791423(20)3128)182430(35)32(1926(34)33(24)29)17111627(3752)3863h710121524272931H46111619H213H3t2429?m0s1
MFCD05671347
ZINC000012864501
ZINC000012864508
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