Vitas-M small molecule compound

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

Catalog ID
STL457965
SMILES O=C1N(CC(=O)N2[C@H]1Cc1c(C2CCc2ccccc2)[nH]c2c1cccc2)Cc1ccccc1Cl

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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 C29H26ClN3O2 MW 484.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClN3O2/c30-23-12-6-4-10-20(23)17-32-18-27(34)33-25(15-14-19-8-2-1-3-9-19)28-22(16-26(33)29(32)35)21-11-5-7-13-24(21)31-28/h1-13,25-26,31H,14-18H2/t25?,26-/m0/s1
InChIKey
QXOFALVXPVUPOF-AMVUTOCUSA-N
Synonyms
956954-56-6
(12aS)2(2chlorobenzyl)6(2phenylethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(2chlorobenzyl)6phenethyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(2chlorobenzyl)6phenethyl671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
956954566
C1C2C(=O)N(CC(=O)N2C(C3=C1C4=CC=CC=C4N3)CCC5=CC=CC=C5)CC6=CC=CC=C6Cl
InChI=1SC29H26ClN3O2c302312641020(23)17321827(34)3325(1514198213919)2822(1626(33)29(32)35)2111571324(21)3128h113252631H1418H2t25?26m0s1
MFCD03661505
O=C1N(CC(=O)N2(C@H)1Cc1c(C2CCc2ccccc2)(nH)c2c1cccc2)Cc1ccccc1Cl
ZINC000002149785
ZINC000002149789

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Available files

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