Vitas-M small molecule compound
1'-benzyl-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Catalog ID
STK724724
SMILES O=C1NC(=O)C2(C(=O)N1Cc1ccccc1)Cc1cc(ccc1N1C2CCCC1)[N+](=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 C23H22N4O5 MW 434.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O5/c28-20-23(21(29)26(22(30)24-20)14-15-6-2-1-3-7-15)13-16-12-17(27(31)32)9-10-18(16)25-11-5-4-8-19(23)25/h1-3,6-7,9-10,12,19H,4-5,8,11,13-14H2,(H,24,28,30)InChIKey
GUAIUIUFCCJIAY-UHFFFAOYSA-NSynonyms
1benzyl8nitro2344atetrahydro1H2H6Hspiro(pyrido(12a)quinoline55pyrimidine)246(1H3H)trione
1benzyl8nitrospiro(12344a6hexahydrobenzo(c)quinolizine5513diazinane)246trione
C1CCN2C(C1)C3(CC4=C2C=CC(=C4)(N+)(=O)(O))C(=O)NC(=O)N(C3=O)CC5=CC=CC=C5
InChI=1SC23H22N4O5c282023(21(29)26(22(30)2420)14156213715)13161217(27(31)32)91018(16)251154819(23)25h13679101219H458111314H2(H242830)
MFCD06016389
O=C1NC(=O)C2(C(=O)N1Cc1ccccc1)Cc1cc(ccc1N1C2CCCC1)(N+)(=O)(O)
ZINC000009122784
ZINC000245226058
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