Vitas-M small molecule compound
3-benzyl-8-nitro-1'-propyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Catalog ID
STK780457
SMILES CCCN1C(=O)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)Cc1ccccc1)[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 C25H27N5O5 MW 477.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O5/c1-2-10-29-23(32)25(22(31)26-24(29)33)14-18-13-19(30(34)35)8-9-20(18)28-12-11-27(16-21(25)28)15-17-6-4-3-5-7-17/h3-9,13,21H,2,10-12,14-16H2,1H3,(H,26,31,33)InChIKey
ZNBNXIPIZWJYMP-UHFFFAOYSA-NSynonyms
3benzyl8nitro1propyl2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
3benzyl8nitro1propylspiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
CCCN1C(=O)C2(CC3=C(C=CC(=C3)(N+)(=O)(O))N4C2CN(CC4)CC5=CC=CC=C5)C(=O)NC1=O
CCCN1C(=O)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)Cc1ccccc1)(N+)(=O)(O)
InChI=1SC25H27N5O5c12102923(32)25(22(31)2624(29)33)14181319(30(34)35)8920(18)28121127(1621(25)28)15176435717h391321H210121416H21H3(H263133)
MFCD05860418
ZINC000012411107
ZINC000230039214
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