Vitas-M small molecule compound
(12bS)-7-(4-ethylphenyl)-12b-methyl-2-(2-phenylethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL531589
SMILES CCc1ccc(cc1)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CCc1ccccc1
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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 C31H31N3O2 MW 477.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O2/c1-3-21-13-15-23(16-14-21)25-19-34-27(35)20-33(18-17-22-9-5-4-6-10-22)30(36)31(34,2)29-28(25)24-11-7-8-12-26(24)32-29/h4-16,25,32H,3,17-20H2,1-2H3/t25?,31-/m0/s1InChIKey
MSIQJWXLCNEFNB-KHTLXAHUSA-NSynonyms
956980-08-8(12bS)7(4ethylphenyl)12bmethyl2(2phenylethyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(4ethylphenyl)12bmethyl2phenethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(4ethylphenyl)2methyl4(2phenylethyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403155
956980088
CCc1ccc(cc1)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCc1ccccc1
InChI=1SC31H31N3O2c1321131523(161421)25193427(35)2033(18172295461022)30(36)31(342)2928(25)2411781226(24)3229h4162532H31720H212H3t25?31m0s1
MFCD06495190
ZINC000012879291
ZINC000012879297
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