Vitas-M small molecule compound
(12aS)-2-(3-butoxypropyl)-6-(3-methylphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537053
SMILES CCCCOCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cccc(c2)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/c1-3-4-14-34-15-8-13-30-18-25(32)31-24(28(30)33)17-22-21-11-5-6-12-23(21)29-26(22)27(31)20-10-7-9-19(2)16-20/h5-7,9-12,16,24,27,29H,3-4,8,13-15,17-18H2,1-2H3/t24-,27?/m0/s1InChIKey
PQCSDZNPLXXHRQ-BXXZMZEQSA-NSynonyms
956933-23-6(12aS)2(3butoxypropyl)6(3methylphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(3butoxypropyl)6(mtolyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6(3butoxypropyl)2(3methylphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399355
956933236
CCCCOCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)C)(nH)c2c1cccc2
InChI=1SC28H33N3O3c134143415813301825(32)3124(28(30)33)17222111561223(21)2926(22)27(31)20107919(2)1620h5791216242729H34813151718H212H3t2427?m0s1
MFCD04143132
ZINC000002098573
ZINC000002098574
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