Vitas-M small molecule compound
(12bS)-7-(3-ethoxy-4-propoxyphenyl)-2-(2-methoxyethyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL529404
SMILES CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CCOC
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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 C29H35N3O5 MW 505.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N3O5/c1-5-14-37-23-12-11-19(16-24(23)36-6-2)21-17-32-25(33)18-31(13-15-35-4)28(34)29(32,3)27-26(21)20-9-7-8-10-22(20)30-27/h7-12,16,21,30H,5-6,13-15,17-18H2,1-4H3/t21?,29-/m0/s1InChIKey
RSFYBCFWHYGBCA-TXMUIZFDSA-NSynonyms
956991-09-6(12bS)7(3ethoxy4propoxyphenyl)2(2methoxyethyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(3ethoxy4propoxyphenyl)2(2methoxyethyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(3ethoxy4propoxyphenyl)4(2methoxyethyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403482
956991096
CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCOC
InChI=1SC29H35N3O5c15143723121119(1624(23)3662)21173225(33)1831(1315354)28(34)29(323)2726(21)209781022(20)3027h712162130H5613151718H214H3t21?29m0s1
MFCD06495886
ZINC000008789844
ZINC000012880384
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