Vitas-M small molecule compound
(12bS)-2-(butan-2-yl)-7-(4-ethylphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528656
SMILES CCc1ccc(cc1)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)C(CC)C
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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/c1-5-17(3)29-16-23(31)30-15-21(19-13-11-18(6-2)12-14-19)24-20-9-7-8-10-22(20)28-25(24)27(30,4)26(29)32/h7-14,17,21,28H,5-6,15-16H2,1-4H3/t17?,21?,27-/m0/s1InChIKey
CYCISJJEWYAGFQ-NAHGBKNOSA-NSynonyms
956929-40-1(12bS)2(butan2yl)7(4ethylphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(secbutyl)7(4ethylphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4butan2yl9(4ethylphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403501
956929401
CCc1ccc(cc1)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)C(CC)C
InChI=1SC27H31N3O2c1517(3)291623(31)301521(19131118(62)121419)24209781022(20)2825(24)27(304)26(29)32h714172128H561516H214H3t17?21?27m0s1
MFCD06495923
ZINC000004084140
ZINC000004084145
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