Vitas-M small molecule compound
methyl 4-[(12aS)-2-(1-benzylpiperidin-4-yl)-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
STL529135
SMILES COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C1CCN(CC1)Cc1ccccc1
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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 C34H34N4O4 MW 562.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N4O4/c1-42-34(41)24-13-11-23(12-14-24)32-31-27(26-9-5-6-10-28(26)35-31)19-29-33(40)37(21-30(39)38(29)32)25-15-17-36(18-16-25)20-22-7-3-2-4-8-22/h2-14,25,29,32,35H,15-21H2,1H3/t29-,32?/m0/s1InChIKey
KRQUULWGYFQOSS-QGFKTNLFSA-NSynonyms
956826-76-916404821
956826769
COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CCN(CC1)Cc1ccccc1
InChI=1SC34H34N4O4c14234(41)24131123(121424)323127(269561028(26)3531)192933(40)37(2130(39)38(29)32)25151736(181625)20227324822h21425293235H1521H21H3t2932?m0s1
methyl4((12aS)2(1benzylpiperidin4yl)14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((8~(S))6(1benzylpiperidin4yl)47dioxo3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen2yl)benzoate
MFCD05727140
ZINC000001323490
ZINC000001323491
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