Vitas-M small molecule compound
methyl 4-[(12aS)-2-(2-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
STL457953
SMILES COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)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 C29H24ClN3O4 MW 513.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClN3O4/c1-37-29(36)18-12-10-17(11-13-18)27-26-21(20-7-3-5-9-23(20)31-26)14-24-28(35)32(16-25(34)33(24)27)15-19-6-2-4-8-22(19)30/h2-13,24,27,31H,14-16H2,1H3/t24-,27?/m0/s1InChIKey
TZIIEZZDLCVTEU-BXXZMZEQSA-NSynonyms
956994-05-14((12aS)2(2chlorobenzyl)14diketo671212atetrahydro3Hpyrazino(12b)$bcarbolin6yl)benzoicacidmethylester
956994051
COC(=O)C1=CC=C(C=C1)C2C3=C(CC4N2C(=O)CN(C4=O)CC5=CC=CC=C5Cl)C6=CC=CC=C6N3
COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1ccccc1Cl
InChI=1SC29H24ClN3O4c13729(36)18121017(111318)272621(20735923(20)3126)142428(35)32(1625(34)33(24)27)1519624822(19)30h213242731H1416H21H3t2427?m0s1
methyl4((12aS)2(2chlorobenzyl)14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
MFCD03661020
ZINC000002149194
ZINC000002149196
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