Vitas-M small molecule compound
(12aS)-6-(2,5-dimethoxyphenyl)-2-[2-(2-fluorophenyl)ethyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL536629
SMILES COc1ccc(c(c1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCc1ccccc1F)OC
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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 C30H28FN3O4 MW 513.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28FN3O4/c1-37-19-11-12-26(38-2)22(15-19)29-28-21(20-8-4-6-10-24(20)32-28)16-25-30(36)33(17-27(35)34(25)29)14-13-18-7-3-5-9-23(18)31/h3-12,15,25,29,32H,13-14,16-17H2,1-2H3/t25-,29?/m0/s1InChIKey
ABUKHAMSMMRVKI-GMMLNUAGSA-NSynonyms
956990-84-4(12aS)6(25dimethoxyphenyl)2(2(2fluorophenyl)ethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)6(25dimethoxyphenyl)2(2fluorophenethyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))2(25dimethoxyphenyl)6(2(2fluorophenyl)ethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399486
956990844
COc1ccc(c(c1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCc1ccccc1F)OC
InChI=1SC30H28FN3O4c13719111226(382)22(1519)292821(208461024(20)3228)162530(36)33(1727(35)34(25)29)141318735923(18)31h31215252932H13141617H212H3t2529?m0s1
MFCD04143970
ZINC000002100458
ZINC000002100459
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