Vitas-M small molecule compound

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

Catalog ID
STL527495
SMILES O=C1N(C)CC(=O)N2[C@@H]1Cc1c(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 C21H18N4O4 MW 390.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4/c1-23-11-18(26)24-17(21(23)27)10-15-14-7-2-3-8-16(14)22-19(15)20(24)12-5-4-6-13(9-12)25(28)29/h2-9,17,20,22H,10-11H2,1H3/t17-,20?/m1/s1
InChIKey
ZNANMCXUAVZKKP-DIAVIDTQSA-N
Synonyms

(12aR)2methyl6(3nitrophenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2methyl6(3nitrophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))6methyl2(3nitrophenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
44667569
InChI=1SC21H18N4O4c1231118(26)2417(21(23)27)101514723816(14)2219(15)20(24)1254613(912)25(28)29h29172022H1011H21H3t1720?m1s1
MFCD03659870
O=C1N(C)CC(=O)N2(C@H)1Cc1c(C2c2cccc(c2)(N+)(=O)(O))(nH)c2c1cccc2
ZINC000006420340
ZINC000006420364

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Available files

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