Vitas-M small molecule compound
(12aS)-2-cyclohexyl-6-(4-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL529326
SMILES O=C1CN(C2CCCCC2)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 C26H26N4O4 MW 458.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O4/c31-23-15-28(17-6-2-1-3-7-17)26(32)22-14-20-19-8-4-5-9-21(19)27-24(20)25(29(22)23)16-10-12-18(13-11-16)30(33)34/h4-5,8-13,17,22,25,27H,1-3,6-7,14-15H2/t22-,25?/m0/s1InChIKey
SCVTZUZOYRKTOU-XADRRFQNSA-NSynonyms
956998-77-9(12aS)2cyclohexyl6(4nitrophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2cyclohexyl6(4nitrophenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6cyclohexyl2(4nitrophenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401344
956998779
InChI=1SC26H26N4O4c31231528(176213717)26(32)22142019845921(19)2724(20)25(29(22)23)16101218(131116)30(33)34h4581317222527H13671415H2t2225?m0s1
MFCD05674136
O=C1CN(C2CCCCC2)C(=O)(C@H)2N1C(c1ccc(cc1)(N+)(=O)(O))c1c(C2)c2c((nH)1)cccc2
ZINC000002118112
ZINC000002118114
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