Vitas-M small molecule compound
methyl 4-[(12aS)-2-(4-chlorobenzyl)-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
STL457930
SMILES COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)Cc1ccc(cc1)Cl
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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 C29H24ClN3O4 MW 513.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClN3O4/c1-37-29(36)19-10-8-18(9-11-19)27-26-22(21-4-2-3-5-23(21)31-26)14-24-28(35)32(16-25(34)33(24)27)15-17-6-12-20(30)13-7-17/h2-13,24,27,31H,14-16H2,1H3/t24-,27?/m0/s1InChIKey
FEZXYJNSEVVLTD-BXXZMZEQSA-NSynonyms
956928-32-84((12aS)2(4chlorobenzyl)14diketo671212atetrahydro3Hpyrazino(12b)$bcarbolin6yl)benzoicacidmethylester
956928328
COC(=O)C1=CC=C(C=C1)C2C3=C(CC4N2C(=O)CN(C4=O)CC5=CC=C(C=C5)Cl)C6=CC=CC=C6N3
COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1ccc(cc1)Cl
InChI=1SC29H24ClN3O4c13729(36)1910818(91119)272622(21423523(21)3126)142428(35)32(1625(34)33(24)27)151761220(30)13717h213242731H1416H21H3t2427?m0s1
methyl4((12aS)2(4chlorobenzyl)14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
MFCD03661666
ZINC000002095196
ZINC000002095198
Check stock
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Check stock on Vitas-MAvailable files
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