Vitas-M small molecule compound
(12aS)-6-(2,5-dimethoxyphenyl)-2-[3-(1H-imidazol-1-yl)propyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537893
SMILES COc1ccc(c(c1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCCn1ccnc1)OC
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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 C28H29N5O4 MW 499.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O4/c1-36-18-8-9-24(37-2)21(14-18)27-26-20(19-6-3-4-7-22(19)30-26)15-23-28(35)32(16-25(34)33(23)27)12-5-11-31-13-10-29-17-31/h3-4,6-10,13-14,17,23,27,30H,5,11-12,15-16H2,1-2H3/t23-,27?/m0/s1InChIKey
MZXVKJHDTHLDEJ-DCCUJTHKSA-NSynonyms
957004-13-6(12aS)2(3(1Himidazol1yl)propyl)6(25dimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(25dimethoxyphenyl)2(3(1Himidazol1yl)propyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(25dimethoxyphenyl)6(3imidazol1ylpropyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399491
957004136
COc1ccc(c(c1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCCn1ccnc1)OC
InChI=1SC28H29N5O4c136188924(372)21(1418)272620(19634722(19)3026)152328(35)32(1625(34)33(23)27)12511311310291731h34610131417232730H511121516H212H3t2327?m0s1
MFCD04143999
ZINC000008917763
ZINC000008918528
Check stock
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Check stock on Vitas-MAvailable files
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