Vitas-M small molecule compound
(12aS)-6-(2-ethoxyphenyl)-2-[2-(morpholin-4-yl)ethyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537156
SMILES CCOc1ccccc1C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCN1CCOCC1
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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 C28H32N4O4 MW 488.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O4/c1-2-36-24-10-6-4-8-20(24)27-26-21(19-7-3-5-9-22(19)29-26)17-23-28(34)31(18-25(33)32(23)27)12-11-30-13-15-35-16-14-30/h3-10,23,27,29H,2,11-18H2,1H3/t23-,27?/m0/s1InChIKey
XOIUCEFFEGASPD-DCCUJTHKSA-NSynonyms
956973-99-2(12aS)6(2ethoxyphenyl)2(2(morpholin4yl)ethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)6(2ethoxyphenyl)2(2morpholinoethyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))2(2ethoxyphenyl)6(2morpholin4ylethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400424
956973992
CCOc1ccccc1C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCN1CCOCC1
InChI=1SC28H32N4O4c1236241064820(24)272621(19735922(19)2926)172328(34)31(1825(33)32(23)27)121130131535161430h310232729H21118H21H3t2327?m0s1
MFCD05671388
ZINC000020412787
ZINC000020412790
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