Vitas-M small molecule compound
methyl 4-[(12aR)-2-benzyl-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
STL527994
SMILES COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)[C@H]2Cc2c1[nH]c1c2cccc1)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 C29H25N3O4 MW 479.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O4/c1-36-29(35)20-13-11-19(12-14-20)27-26-22(21-9-5-6-10-23(21)30-26)15-24-28(34)31(17-25(33)32(24)27)16-18-7-3-2-4-8-18/h2-14,24,27,30H,15-17H2,1H3/t24-,27?/m1/s1InChIKey
XRMKXYCDYOYMIB-DXDQHDRFSA-NSynonyms
135639353
COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1ccccc1
InChI=1SC29H25N3O4c13629(35)20131119(121420)272622(219561023(21)3026)152428(34)31(1725(33)32(24)27)16187324818h214242730H1517H21H3t2427?m1s1
methyl4((12aR)2benzyl14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((12aS)2benzyl14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((8~(R))6benzyl47dioxo3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen2yl)benzoate
MFCD03661630
ZINC000016042816
ZINC000016042817
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