Vitas-M small molecule compound

(12aS)-6-(2-ethoxyphenyl)-2-(3,4,5-trimethoxybenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL537230
SMILES CCOc1ccccc1C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)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 C32H33N3O6 MW 555.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N3O6/c1-5-41-25-13-9-7-11-21(25)30-29-22(20-10-6-8-12-23(20)33-29)16-24-32(37)34(18-28(36)35(24)30)17-19-14-26(38-2)31(40-4)27(15-19)39-3/h6-15,24,30,33H,5,16-18H2,1-4H3/t24-,30?/m0/s1
InChIKey
OHWRKAMWNFXGOF-YJJLJQPASA-N
Synonyms
956942-34-0
(12aS)6(2ethoxyphenyl)2(345trimethoxybenzyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(2ethoxyphenyl)2(345trimethoxybenzyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(2ethoxyphenyl)6((345trimethoxyphenyl)methyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400985
956942340
CCOc1ccccc1C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1cc(OC)c(c(c1)OC)OC
InChI=1SC32H33N3O6c15412513971121(25)302922(2010681223(20)3329)162432(37)34(1828(36)35(24)30)17191426(382)31(404)27(1519)393h615243033H51618H214H3t2430?m0s1
MFCD05672343
ZINC000002112290
ZINC000002112292

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Available files

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