Vitas-M small molecule compound
(12bS)-7-(2-ethoxy-3-methoxyphenyl)-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
STL532059
SMILES CCOc1c(OC)cccc1C1CN2C(=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 C32H33N3O4 MW 523.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N3O4/c1-5-39-29-22(10-8-12-26(29)38-4)24-18-35-27(36)19-34(17-21-15-13-20(2)14-16-21)31(37)32(35,3)30-28(24)23-9-6-7-11-25(23)33-30/h6-16,24,33H,5,17-19H2,1-4H3/t24?,32-/m0/s1InChIKey
CNKBLMFTYWRVSO-TWAVRPEISA-NSynonyms
956941-14-3(12bS)7(2ethoxy3methoxyphenyl)12bmethyl2(4methylbenzyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(2ethoxy3methoxyphenyl)12bmethyl2(4methylbenzyl)2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(2ethoxy3methoxyphenyl)2methyl4((4methylphenyl)methyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403259
956941143
CCOc1c(OC)cccc1C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)Cc1ccc(cc1)C
InChI=1SC32H33N3O4c15392922(1081226(29)384)24183527(36)1934(1721151320(2)141621)31(37)32(353)3028(24)239671125(23)3330h6162433H51719H214H3t24?32m0s1
MFCD06495426
ZINC000012879621
ZINC000012879628
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