Vitas-M small molecule compound

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

Catalog ID
STL527421
SMILES O=C1CN(Cc2ccccc2)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 C27H22N4O4 MW 466.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O4/c32-24-16-29(15-17-7-2-1-3-8-17)27(33)23-14-21-20-11-4-5-12-22(20)28-25(21)26(30(23)24)18-9-6-10-19(13-18)31(34)35/h1-13,23,26,28H,14-16H2/t23-,26?/m1/s1
InChIKey
VHNGMPJSBOXGEO-GEPVFLLWSA-N
Synonyms

(12aR)2benzyl6(3nitrophenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2benzyl6(3nitrophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))6benzyl2(3nitrophenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
44667378
InChI=1SC27H22N4O4c32241629(15177213817)27(33)2314212011451222(20)2825(21)26(30(23)24)18961019(1318)31(34)35h113232628H1416H2t2326?m1s1
MFCD03660109
O=C1CN(Cc2ccccc2)C(=O)(C@H)2N1C(c1cccc(c1)(N+)(=O)(O))c1c(C2)c2c((nH)1)cccc2
ZINC000009164906
ZINC000016042332

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Available files

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