Vitas-M small molecule compound
(12aS)-2-(5-hydroxypentyl)-6-[4-(propan-2-yl)phenyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537905
SMILES OCCCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccc(cc2)C(C)C)[nH]c2c1cccc2
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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 C28H33N3O3 MW 459.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O3/c1-18(2)19-10-12-20(13-11-19)27-26-22(21-8-4-5-9-23(21)29-26)16-24-28(34)30(14-6-3-7-15-32)17-25(33)31(24)27/h4-5,8-13,18,24,27,29,32H,3,6-7,14-17H2,1-2H3/t24-,27?/m0/s1InChIKey
OTCMIULFPSDPRU-BXXZMZEQSA-NSynonyms
(12aR)2(5hydroxypentyl)6(4isopropylphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(5hydroxypentyl)6(4(propan2yl)phenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6(5hydroxypentyl)2(4propan2ylphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
135639503
InChI=1SC28H33N3O3c118(2)19101220(131119)272622(21845923(21)2926)162428(34)30(146371532)1725(33)31(24)27h458131824272932H3671417H212H3t2427?m0s1
MFCD04142789
OCCCCCN1CC(=O)N2(C@@H)(C1=O)Cc1c(C2c2ccc(cc2)C(C)C)(nH)c2c1cccc2
ZINC000016043172
ZINC000016043173
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