Vitas-M small molecule compound
methyl 4-[(12aS)-2-methyl-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
STL457945
SMILES COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C
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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 C23H21N3O4 MW 403.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O4/c1-25-12-19(27)26-18(22(25)28)11-16-15-5-3-4-6-17(15)24-20(16)21(26)13-7-9-14(10-8-13)23(29)30-2/h3-10,18,21,24H,11-12H2,1-2H3/t18-,21?/m0/s1InChIKey
MYZKESBEHPSPFW-YMXDCFFPSA-NSynonyms
1212433-65-21212433652
4((12aS)14diketo2methyl671212atetrahydro3Hpyrazino(12b)$bcarbolin6yl)benzoicacidmethylester
CN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC=C(C=C4)C(=O)OC)NC5=CC=CC=C35
COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C
InChI=1SC23H21N3O4c1251219(27)2618(22(25)28)111615534617(15)2420(16)21(26)137914(10813)23(29)302h310182124H1112H212H3t1821?m0s1
methyl4((12aS)2methyl14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
MFCD03661060
ZINC000002094137
ZINC000002094138
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