Vitas-M small molecule compound
(12aS)-6-(2-ethoxyphenyl)-2-(3-methoxypropyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL536990
SMILES COCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccccc2OCC)[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 C26H29N3O4 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O4/c1-3-33-22-12-7-5-10-18(22)25-24-19(17-9-4-6-11-20(17)27-24)15-21-26(31)28(13-8-14-32-2)16-23(30)29(21)25/h4-7,9-12,21,25,27H,3,8,13-16H2,1-2H3/t21-,25?/m0/s1InChIKey
NEGUXDOKWLTZRU-BWDMCYIDSA-NSynonyms
956933-49-6(12aS)6(2ethoxyphenyl)2(3methoxypropyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(2ethoxyphenyl)2(3methoxypropyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(2ethoxyphenyl)6(3methoxypropyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400952
956933496
COCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccccc2OCC)(nH)c2c1cccc2
InChI=1SC26H29N3O4c13332212751018(22)252419(179461120(17)2724)152126(31)28(13814322)1623(30)29(21)25h47912212527H381316H212H3t2125?m0s1
MFCD05672290
ZINC000002112178
ZINC000002112179
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