Vitas-M small molecule compound
(12bS)-7-(2-methoxyphenyl)-12b-methyl-2-(3-methylbutyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL532696
SMILES COc1ccccc1C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CCC(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 C27H31N3O3 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O3/c1-17(2)13-14-29-16-23(31)30-15-20(18-9-6-8-12-22(18)33-4)24-19-10-5-7-11-21(19)28-25(24)27(30,3)26(29)32/h5-12,17,20,28H,13-16H2,1-4H3/t20?,27-/m0/s1InChIKey
LERKZOXVLQGUEF-OHMHCFLMSA-NSynonyms
956815-60-4(12bS)2isopentyl7(2methoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(12bS)7(2methoxyphenyl)12bmethyl2(3methylbutyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(2~(S))9(2methoxyphenyl)2methyl4(3methylbutyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402347
956815604
COc1ccccc1C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCC(C)C
InChI=1SC27H31N3O3c117(2)1314291623(31)301520(189681222(18)334)241910571121(19)2825(24)27(303)26(29)32h512172028H1316H214H3t20?27m0s1
MFCD06493450
ZINC000012876335
ZINC000012876343
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