Vitas-M small molecule compound

(12bS)-7-(4-ethylphenyl)-12b-methyl-2-(3,4,5-trimethoxybenzyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL528652
SMILES CCc1ccc(cc1)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)Cc1cc(OC)c(c(c1)OC)OC

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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 C33H35N3O5 MW 553.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35N3O5/c1-6-20-11-13-22(14-12-20)24-18-36-28(37)19-35(17-21-15-26(39-3)30(41-5)27(16-21)40-4)32(38)33(36,2)31-29(24)23-9-7-8-10-25(23)34-31/h7-16,24,34H,6,17-19H2,1-5H3/t24?,33-/m0/s1
InChIKey
WNGVOVVMNRIJOX-RULBIBMZSA-N
Synonyms
956914-73-1
(12bS)7(4ethylphenyl)12bmethyl2(345trimethoxybenzyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(4ethylphenyl)12bmethyl2(345trimethoxybenzyl)2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(4ethylphenyl)2methyl4((345trimethoxyphenyl)methyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16404178
956914731
CCc1ccc(cc1)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)Cc1cc(OC)c(c(c1)OC)OC
InChI=1SC33H35N3O5c1620111322(141220)24183628(37)1935(17211526(393)30(415)27(1621)404)32(38)33(362)3129(24)239781025(23)3431h7162434H61719H215H3t24?33m0s1
MFCD06766359
ZINC000070700130
ZINC000070700133

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.