Vitas-M small molecule compound
(12aR)-2-butyl-6-[4-(propan-2-yl)phenyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL527716
SMILES CCCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccc(cc2)C(C)C)[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 C27H31N3O2 MW 429.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O2/c1-4-5-14-29-16-24(31)30-23(27(29)32)15-21-20-8-6-7-9-22(20)28-25(21)26(30)19-12-10-18(11-13-19)17(2)3/h6-13,17,23,26,28H,4-5,14-16H2,1-3H3/t23-,26?/m1/s1InChIKey
LAFBUGNZZLMBFB-GEPVFLLWSA-NSynonyms
(12aR)2butyl6(4(propan2yl)phenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2butyl6(4isopropylphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))6butyl2(4propan2ylphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
135639299
CCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2)C(C)C)(nH)c2c1cccc2
InChI=1SC27H31N3O2c14514291624(31)3023(27(29)32)152120867922(20)2825(21)26(30)19121018(111319)17(2)3h61317232628H451416H213H3t2326?m1s1
MFCD03662143
ZINC000016042762
ZINC000016042763
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