Vitas-M small molecule compound
2',6'-dihydroxy-3-methyl-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidin]-4'-one
Catalog ID
STK595596
SMILES CC1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=NC(=NC1=O)O)O
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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 C17H18N4O5 MW 358.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O5/c1-9-4-5-20-12-3-2-11(21(25)26)7-10(12)8-17(13(20)6-9)14(22)18-16(24)19-15(17)23/h2-3,7,9,13H,4-6,8H2,1H3,(H2,18,19,22,23,24)InChIKey
ZLLQOFBTQIIREK-UHFFFAOYSA-NSynonyms
896805-02-026dihydroxy3methyl8nitro2344atetrahydro1H4H6Hspiro(pyrido(12a)quinoline55pyrimidin)4one
3methyl8nitrospiro(12344a6hexahydrobenzo(c)quinolizine5513diazinane)246trione
896805020
CC1CCN2C(C1)C1(Cc3c2ccc(c3)(N+)(=O)(O))C(=NC(=NC1=O)O)O
CC1CCN2C(C1)C3(CC4=C2C=CC(=C4)(N+)(=O)(O))C(=O)NC(=O)NC3=O
InChI=1SC17H18N4O5c194520123211(21(25)26)710(12)817(13(20)69)14(22)1816(24)1915(17)23h237913H468H21H3(H21819222324)
MFCD07211500
ZINC000017016655
ZINC000248343091
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