Vitas-M small molecule compound
(12aS)-2-[2-(cyclohex-1-en-1-yl)ethyl]-6-(4-ethoxy-3-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537404
SMILES CCOc1ccc(cc1OC)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCC1=CCCCC1
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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 C31H35N3O4 MW 513.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O4/c1-3-38-26-14-13-21(17-27(26)37-2)30-29-23(22-11-7-8-12-24(22)32-29)18-25-31(36)33(19-28(35)34(25)30)16-15-20-9-5-4-6-10-20/h7-9,11-14,17,25,30,32H,3-6,10,15-16,18-19H2,1-2H3/t25-,30?/m0/s1InChIKey
CGYJSCOZJJYBLL-SUHMBNCMSA-NSynonyms
956914-15-1(12aS)2(2(cyclohex1en1yl)ethyl)6(4ethoxy3methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(2(cyclohex1en1yl)ethyl)6(4ethoxy3methoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6(2(cyclohexen1yl)ethyl)2(4ethoxy3methoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401650
956914151
CCOc1ccc(cc1OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCC1=CCCCC1
InChI=1SC31H35N3O4c133826141321(1727(26)372)302923(2211781224(22)3229)182531(36)33(1928(35)34(25)30)16152095461020h79111417253032H361015161819H212H3t2530?m0s1
MFCD05675793
ZINC000002121170
ZINC000002121172
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.