Vitas-M small molecule compound
methyl 4-{(12aS)-2-[2-(1H-indol-3-yl)ethyl]-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
STL457887
SMILES COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCc1c[nH]c2c1cccc2
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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 C32H28N4O4 MW 532.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N4O4/c1-40-32(39)20-12-10-19(11-13-20)30-29-24(23-7-3-5-9-26(23)34-29)16-27-31(38)35(18-28(37)36(27)30)15-14-21-17-33-25-8-4-2-6-22(21)25/h2-13,17,27,30,33-34H,14-16,18H2,1H3/t27-,30?/m0/s1InChIKey
YPRVACLIRLTZQR-CEBUJLNPSA-NSynonyms
956969-09-84((12aS)2(2(1Hindol3yl)ethyl)14diketo671212atetrahydro3Hpyrazino(12b)$bcarbolin6yl)benzoicacidmethylester
956969098
COC(=O)C1=CC=C(C=C1)C2C3=C(CC4N2C(=O)CN(C4=O)CCC5=CNC6=CC=CC=C65)C7=CC=CC=C7N3
COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCc1c(nH)c2c1cccc2
InChI=1SC32H28N4O4c14032(39)20121019(111320)302924(23735926(23)3429)162731(38)35(1828(37)36(27)30)151421173325842622(21)25h2131727303334H141618H21H3t2730?m0s1
methyl4((12aS)2(2(1Hindol3yl)ethyl)14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
MFCD03661281
ZINC000002092995
ZINC000002092998
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.