Vitas-M small molecule compound

methyl 4-[(12aS)-2-(3,4-dimethoxybenzyl)-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl]benzoate

Catalog ID
STL537722
SMILES COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)Cc1ccc(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 C31H29N3O6 MW 539.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O6/c1-38-25-13-8-18(14-26(25)39-2)16-33-17-27(35)34-24(30(33)36)15-22-21-6-4-5-7-23(21)32-28(22)29(34)19-9-11-20(12-10-19)31(37)40-3/h4-14,24,29,32H,15-17H2,1-3H3/t24-,29?/m0/s1
InChIKey
MVUWBZIYDJBNGG-CTLOQAHHSA-N
Synonyms
956974-91-7
16401427
956974917
COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1ccc(c(c1)OC)OC
InChI=1SC31H29N3O6c1382513818(1426(25)392)16331727(35)3424(30(33)36)152221645723(21)3228(22)29(34)1991120(121019)31(37)403h414242932H1517H213H3t2429?m0s1
methyl4((12aS)2(34dimethoxybenzyl)14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((8~(S))6((34dimethoxyphenyl)methyl)47dioxo3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen2yl)benzoate
MFCD05674569
ZINC000002119660
ZINC000002119662

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Available files

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