Vitas-M small molecule compound
(12aR)-2-(4-phenylbutan-2-yl)-6-(2-phenylethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL527866
SMILES CC(N1CC(=O)N2[C@@H](C1=O)Cc1c(C2CCc2ccccc2)[nH]c2c1cccc2)CCc1ccccc1
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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 C32H33N3O2 MW 491.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N3O2/c1-22(16-17-23-10-4-2-5-11-23)34-21-30(36)35-28(19-18-24-12-6-3-7-13-24)31-26(20-29(35)32(34)37)25-14-8-9-15-27(25)33-31/h2-15,22,28-29,33H,16-21H2,1H3/t22?,28?,29-/m1/s1InChIKey
FITVVARDQARDLR-RVYHTHJDSA-NSynonyms
(12aR)2(4phenylbutan2yl)6(2phenylethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)6phenethyl2(4phenylbutan2yl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))6(4phenylbutan2yl)2(2phenylethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
135639324
CC(N1CC(=O)N2(C@H)(C1=O)Cc1c(C2CCc2ccccc2)(nH)c2c1cccc2)CCc1ccccc1
InChI=1SC32H33N3O2c122(161723104251123)342130(36)3528(191824126371324)3126(2029(35)32(34)37)2514891527(25)3331h21522282933H1621H21H3t22?28?29m1s1
MFCD03661862
ZINC000016042121
ZINC000043741081
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