Vitas-M small molecule compound
(12bS)-7-(4-ethylphenyl)-12b-methyl-2-(4-methylbenzyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL529581
SMILES CCc1ccc(cc1)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)Cc1ccc(cc1)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 C31H31N3O2 MW 477.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O2/c1-4-21-13-15-23(16-14-21)25-18-34-27(35)19-33(17-22-11-9-20(2)10-12-22)30(36)31(34,3)29-28(25)24-7-5-6-8-26(24)32-29/h5-16,25,32H,4,17-19H2,1-3H3/t25?,31-/m0/s1InChIKey
IXNGRIJRBZOWBY-KHTLXAHUSA-NSynonyms
956936-18-8(12bS)7(4ethylphenyl)12bmethyl2(4methylbenzyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(4ethylphenyl)12bmethyl2(4methylbenzyl)2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(4ethylphenyl)2methyl4((4methylphenyl)methyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402798
956936188
CCc1ccc(cc1)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)Cc1ccc(cc1)C
InChI=1SC31H31N3O2c1421131523(161421)25183427(35)1933(172211920(2)101222)30(36)31(343)2928(25)24756826(24)3229h5162532H41719H213H3t25?31m0s1
MFCD06494411
ZINC000008789117
ZINC000008789118
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