Vitas-M small molecule compound
(12aS)-2-benzyl-6-(2-ethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537704
SMILES CCOc1ccccc1C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)Cc1ccccc1
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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 C29H27N3O3 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O3/c1-2-35-25-15-9-7-13-21(25)28-27-22(20-12-6-8-14-23(20)30-27)16-24-29(34)31(18-26(33)32(24)28)17-19-10-4-3-5-11-19/h3-15,24,28,30H,2,16-18H2,1H3/t24-,28?/m0/s1InChIKey
HTWUHXVSTOYEBR-ZZDYIDRTSA-NSynonyms
956915-76-7(12aS)2benzyl6(2ethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2benzyl6(2ethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6benzyl2(2ethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400298
956915767
CCOc1ccccc1C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1ccccc1
InChI=1SC29H27N3O3c12352515971321(25)282722(2012681423(20)3027)162429(34)31(1826(33)32(24)28)1719104351119h315242830H21618H21H3t2428?m0s1
MFCD05671189
ZINC000002109558
ZINC000002109559
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