Vitas-M small molecule compound
(12aS)-2-[2-(morpholin-4-yl)ethyl]-6-(4-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL529184
SMILES O=C1CN(CCN2CCOCC2)C(=O)[C@H]2N1C(c1ccc(cc1)[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 C26H27N5O5 MW 489.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O5/c32-23-16-29(10-9-28-11-13-36-14-12-28)26(33)22-15-20-19-3-1-2-4-21(19)27-24(20)25(30(22)23)17-5-7-18(8-6-17)31(34)35/h1-8,22,25,27H,9-16H2/t22-,25?/m0/s1InChIKey
FTHDVJZSIXPSSM-XADRRFQNSA-NSynonyms
956910-77-3(12aS)2(2(morpholin4yl)ethyl)6(4nitrophenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(2morpholinoethyl)6(4nitrophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6(2morpholin4ylethyl)2(4nitrophenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401893
956910773
InChI=1SC26H27N5O5c32231629(10928111336141228)26(33)22152019312421(19)2724(20)25(30(22)23)175718(8617)31(34)35h18222527H916H2t2225?m0s1
MFCD05677141
O=C1CN(CCN2CCOCC2)C(=O)(C@H)2N1C(c1ccc(cc1)(N+)(=O)(O))c1c(C2)c2c((nH)1)cccc2
ZINC000020610427
ZINC000020610429
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