Vitas-M small molecule compound
(12aS)-2-benzyl-6-(4-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL457973
SMILES COc1ccc(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 C28H25N3O3 MW 451.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O3/c1-34-20-13-11-19(12-14-20)27-26-22(21-9-5-6-10-23(21)29-26)15-24-28(33)30(17-25(32)31(24)27)16-18-7-3-2-4-8-18/h2-14,24,27,29H,15-17H2,1H3/t24-,27?/m0/s1InChIKey
YAVNDYNYFZYWNJ-BXXZMZEQSA-NSynonyms
1212487-36-9(12aS)2benzyl6(4methoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2benzyl6(4methoxyphenyl)671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
(S)2benzyl6(4methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
1212487369
COC1=CC=C(C=C1)C2C3=C(CC4N2C(=O)CN(C4=O)CC5=CC=CC=C5)C6=CC=CC=C6N3
COc1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1ccccc1
InChI=1SC28H25N3O3c13420131119(121420)272622(219561023(21)2926)152428(33)30(1725(32)31(24)27)16187324818h214242729H1517H21H3t2427?m0s1
MFCD03659835
ZINC000002092130
ZINC000002092132
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