Vitas-M small molecule compound
(12bS)-2-(butan-2-yl)-7-(2-ethoxy-3-methoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL529105
SMILES CCOc1c(OC)cccc1C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)C(CC)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 C28H33N3O4 MW 475.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O4/c1-6-17(3)30-16-23(32)31-15-20(18-12-10-14-22(34-5)25(18)35-7-2)24-19-11-8-9-13-21(19)29-26(24)28(31,4)27(30)33/h8-14,17,20,29H,6-7,15-16H2,1-5H3/t17?,20?,28-/m0/s1InChIKey
GDHKBOZSAUODSU-RGSJVASWSA-NSynonyms
956952-52-6(12bS)2(butan2yl)7(2ethoxy3methoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(secbutyl)7(2ethoxy3methoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4butan2yl9(2ethoxy3methoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403002
956952526
CCOc1c(OC)cccc1C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)C(CC)C
InChI=1SC28H33N3O4c1617(3)301623(32)311520(1812101422(345)25(18)3572)241911891321(19)2926(24)28(314)27(30)33h814172029H671516H215H3t17?20?28m0s1
MFCD06494864
ZINC000008789265
ZINC000012878843
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