Vitas-M small molecule compound
(12aR)-6-(3-nitrophenyl)-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL527816
SMILES O=C1CN(Cc2ccncc2)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 C26H21N5O4 MW 467.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N5O4/c32-23-15-29(14-16-8-10-27-11-9-16)26(33)22-13-20-19-6-1-2-7-21(19)28-24(20)25(30(22)23)17-4-3-5-18(12-17)31(34)35/h1-12,22,25,28H,13-15H2/t22-,25?/m1/s1InChIKey
DPSXPPAXLRFTCM-UFUCKMQHSA-NSynonyms
(12aR)6(3nitrophenyl)2(pyridin4ylmethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)6(3nitrophenyl)2(pyridin4ylmethyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))2(3nitrophenyl)6(pyridin4ylmethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
44668005
InChI=1SC26H21N5O4c32231529(14168102711916)26(33)22132019612721(19)2824(20)25(30(22)23)1743518(1217)31(34)35h112222528H1315H2t2225?m1s1
MFCD03661563
O=C1CN(Cc2ccncc2)C(=O)(C@H)2N1C(c1cccc(c1)(N+)(=O)(O))c1c(C2)c2c((nH)1)cccc2
ZINC000008742633
ZINC000008742634
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