Vitas-M small molecule compound
(12aS)-2-(2-phenylethyl)-6-(3,4,5-trimethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL457909
SMILES COc1cc(cc(c1OC)OC)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCc1ccccc1
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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 C31H31N3O5 MW 525.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O5/c1-37-25-15-20(16-26(38-2)30(25)39-3)29-28-22(21-11-7-8-12-23(21)32-28)17-24-31(36)33(18-27(35)34(24)29)14-13-19-9-5-4-6-10-19/h4-12,15-16,24,29,32H,13-14,17-18H2,1-3H3/t24-,29?/m0/s1InChIKey
DMXMVZHAAYMYHF-CTLOQAHHSA-NSynonyms
956968-51-7(12aS)2(2phenylethyl)6(345trimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2phenethyl6(345trimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2phenethyl6(345trimethoxyphenyl)671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
956968517
COC1=CC(=CC(=C1OC)OC)C2C3=C(CC4N2C(=O)CN(C4=O)CCC5=CC=CC=C5)C6=CC=CC=C6N3
COc1cc(cc(c1OC)OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCc1ccccc1
InChI=1SC31H31N3O5c137251520(1626(382)30(25)393)292822(2111781223(21)3228)172431(36)33(1827(35)34(24)29)14131995461019h4121516242932H13141718H213H3t2429?m0s1
MFCD03851540
ZINC000002149498
ZINC000002149501
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.