Vitas-M small molecule compound
(12bS)-7-(4-ethylphenyl)-12b-methyl-2-(2-methylpropyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL531155
SMILES CCc1ccc(cc1)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CC(C)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/c1-5-18-10-12-19(13-11-18)21-15-30-23(31)16-29(14-17(2)3)26(32)27(30,4)25-24(21)20-8-6-7-9-22(20)28-25/h6-13,17,21,28H,5,14-16H2,1-4H3/t21?,27-/m0/s1InChIKey
YRZZCXMQZVJJCO-YQAGWJQESA-NSynonyms
956971-10-1(12bS)7(4ethylphenyl)12bmethyl2(2methylpropyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(4ethylphenyl)2isobutyl12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(4ethylphenyl)2methyl4(2methylpropyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402504
956971101
CCc1ccc(cc1)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CC(C)C
InChI=1SC27H31N3O2c1518101219(131118)21153023(31)1629(1417(2)3)26(32)27(304)2524(21)20867922(20)2825h613172128H51416H214H3t21?27m0s1
MFCD06493805
ZINC000004083047
ZINC000004083050
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