Vitas-M small molecule compound
1'-[2-(3,4-dimethoxyphenyl)ethyl]-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
STK724675
SMILES COc1ccc(cc1OC)CCN1C(=O)NC(=O)C2(C1=O)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 C26H28N4O7 MW 508.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O7/c1-36-20-9-6-16(13-21(20)37-2)10-12-29-24(32)26(23(31)27-25(29)33)15-17-14-18(30(34)35)7-8-19(17)28-11-4-3-5-22(26)28/h6-9,13-14,22H,3-5,10-12,15H2,1-2H3,(H,27,31,33)InChIKey
PPEQCORZRTZMHZ-UHFFFAOYSA-NSynonyms
879478-13-41(2(34dimethoxyphenyl)ethyl)8nitro2344atetrahydro1H2H6Hspiro(pyrido(12a)quinoline55pyrimidine)246(1H3H)trione
1(2(34dimethoxyphenyl)ethyl)8nitrospiro(12344a6hexahydrobenzo(c)quinolizine5513diazinane)246trione
1(34dimethoxyphenethyl)8nitro12344a6hexahydro1Hspiro(pyrido(12a)quinoline55pyrimidine)246(3H)trione
879478134
COC1=C(C=C(C=C1)CCN2C(=O)C3(CC4=C(C=CC(=C4)(N+)(=O)(O))N5C3CCCC5)C(=O)NC2=O)OC
COc1ccc(cc1OC)CCN1C(=O)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CCCC1)(N+)(=O)(O)
InChI=1SC26H28N4O7c136209616(1321(20)372)10122924(32)26(23(31)2725(29)33)15171418(30(34)35)7819(17)281143522(26)28h69131422H35101215H212H3(H273133)
MFCD07639035
ZINC000008972098
ZINC000229903957
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.