Vitas-M small molecule compound

(12aS)-2-(3-methoxypropyl)-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL457955
SMILES COCCCN1CC(=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 C24H24N4O5 MW 448.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O5/c1-33-11-5-10-26-14-21(29)27-20(24(26)30)13-18-17-8-2-3-9-19(17)25-22(18)23(27)15-6-4-7-16(12-15)28(31)32/h2-4,6-9,12,20,23,25H,5,10-11,13-14H2,1H3/t20-,23?/m0/s1
InChIKey
LFKRBQJSPBHLHO-AJZOCDQUSA-N
Synonyms
956822-57-4
(12aS)2(3methoxypropyl)6(3nitrophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(3methoxypropyl)6(3nitrophenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(3methoxypropyl)6(3nitrophenyl)671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
956822574
COCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)(N+)(=O)(O))(nH)c2c1cccc2
COCCCN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC(=CC=C4)(N+)(=O)(O))NC5=CC=CC=C35
InChI=1SC24H24N4O5c13311510261421(29)2720(24(26)30)131817823919(17)2522(18)23(27)1564716(1215)28(31)32h246912202325H510111314H21H3t2023?m0s1
MFCD03659922
ZINC000002148823
ZINC000002148827

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Available files

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