Vitas-M small molecule compound
(12bS)-7-(2-ethoxy-3-methoxyphenyl)-12b-methyl-2-(3-phenylpropyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528795
SMILES CCOc1c(OC)cccc1C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CCCc1ccccc1
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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 C33H35N3O4 MW 537.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35N3O4/c1-4-40-30-23(16-10-18-27(30)39-3)25-20-36-28(37)21-35(19-11-14-22-12-6-5-7-13-22)32(38)33(36,2)31-29(25)24-15-8-9-17-26(24)34-31/h5-10,12-13,15-18,25,34H,4,11,14,19-21H2,1-3H3/t25?,33-/m0/s1InChIKey
HYGQABNGTMUHCK-ZEWJHAJUSA-NSynonyms
956824-16-1(12bS)7(2ethoxy3methoxyphenyl)12bmethyl2(3phenylpropyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(2ethoxy3methoxyphenyl)12bmethyl2(3phenylpropyl)2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(2ethoxy3methoxyphenyl)2methyl4(3phenylpropyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402625
956824161
CCOc1c(OC)cccc1C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCCc1ccccc1
InChI=1SC33H35N3O4c14403023(16101827(30)393)25203628(37)2135(19111422126571322)32(38)33(362)3129(25)2415891726(24)3431h510121315182534H411141921H213H3t25?33m0s1
MFCD06494036
ZINC000070692356
ZINC000070692357
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.