Vitas-M small molecule compound

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

Catalog ID
STL527567
SMILES O=C1CN(Cc2ccco2)C(=O)[C@@H]2N1C(c1cccc(c1)[N+](=O)[O-])c1c(C2)c2c([nH]1)cccc2

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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 C25H20N4O5 MW 456.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O5/c30-22-14-27(13-17-7-4-10-34-17)25(31)21-12-19-18-8-1-2-9-20(18)26-23(19)24(28(21)22)15-5-3-6-16(11-15)29(32)33/h1-11,21,24,26H,12-14H2/t21-,24?/m1/s1
InChIKey
KVKFLNQBCBCLRO-CILPGNKCSA-N
Synonyms

(12aR)2(furan2ylmethyl)6(3nitrophenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(furan2ylmethyl)6(3nitrophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))6(furan2ylmethyl)2(3nitrophenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
44667424
InChI=1SC25H20N4O5c30221427(131774103417)25(31)21121918812920(18)2623(19)24(28(21)22)1553616(1115)29(32)33h111212426H1214H2t2124?m1s1
MFCD03660248
ZINC000009167943
ZINC000009167947

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Available files

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