Vitas-M small molecule compound
(12aR)-2-cyclopentyl-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL527641
SMILES O=C1CN(C2CCCC2)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 C25H24N4O4 MW 444.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O4/c30-22-14-27(16-7-1-2-8-16)25(31)21-13-19-18-10-3-4-11-20(18)26-23(19)24(28(21)22)15-6-5-9-17(12-15)29(32)33/h3-6,9-12,16,21,24,26H,1-2,7-8,13-14H2/t21-,24?/m1/s1InChIKey
RKMYFNRTXRSITN-CILPGNKCSA-NSynonyms
(12aR)2cyclopentyl6(3nitrophenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2cyclopentyl6(3nitrophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))6cyclopentyl2(3nitrophenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
44668104
InChI=1SC25H24N4O4c30221427(16712816)25(31)2113191810341120(18)2623(19)24(28(21)22)1565917(1215)29(32)33h3691216212426H12781314H2t2124?m1s1
MFCD03660337
O=C1CN(C2CCCC2)C(=O)(C@H)2N1C(c1cccc(c1)(N+)(=O)(O))c1c(C2)c2c((nH)1)cccc2
ZINC000008743588
ZINC000008743589
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