Vitas-M small molecule compound
(12aS)-2-(3-ethoxypropyl)-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528786
SMILES CCOCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cccc(c2)[N+](=O)[O-])[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 C25H26N4O5 MW 462.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O5/c1-2-34-12-6-11-27-15-22(30)28-21(25(27)31)14-19-18-9-3-4-10-20(18)26-23(19)24(28)16-7-5-8-17(13-16)29(32)33/h3-5,7-10,13,21,24,26H,2,6,11-12,14-15H2,1H3/t21-,24?/m0/s1InChIKey
HKVIUPIQSODDBZ-XEGCMXMBSA-NSynonyms
956993-26-3(12aS)2(3ethoxypropyl)6(3nitrophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(3ethoxypropyl)6(3nitrophenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6(3ethoxypropyl)2(3nitrophenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401249
956993263
CCOCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)(N+)(=O)(O))(nH)c2c1cccc2
InChI=1SC25H26N4O5c123412611271522(30)2821(25(27)31)1419189341020(18)2623(19)24(28)1675817(1316)29(32)33h3571013212426H2611121415H21H3t2124?m0s1
MFCD05673643
ZINC000001884334
ZINC000001884338
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