Vitas-M small molecule compound
1-[2-(cyclohex-1-en-1-yl)ethyl]-1',6'-dimethyl-2,6-dioxo-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate
Catalog ID
STL057346
SMILES Cc1ccc2c(c1)CC1(C[NH+]2C)C(=NC(=O)N(C1=O)CCC1=CCCCC1)[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 C22H27N3O3 MW 381.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O3/c1-15-8-9-18-17(12-15)13-22(14-24(18)2)19(26)23-21(28)25(20(22)27)11-10-16-6-4-3-5-7-16/h6,8-9,12H,3-5,7,10-11,13-14H2,1-2H3,(H,23,26,28)InChIKey
TYHZKRJCWFNMQA-UHFFFAOYSA-NSynonyms
850801-30-81(2(cyclohex1en1yl)ethyl)16dimethyl26dioxo1146tetrahydro2H2Hspiro(pyrimidine53quinolinium)4olate
1(2(CYCLOHEXEN1YL)ETHYL)16DIMETHYL46DIOXOSPIRO(24DIHYDRO1HQUINOLIN1IUM35PYRIMIDINE)2OLATE
850801308
CC1=CC2=C(C=C1)(NH+)(CC3(C2)C(=O)N=C(N(C3=O)CCC4=CCCCC4)(O))C
Cc1ccc2c(c1)CC1(C(NH+)2C)C(=NC(=O)N(C1=O)CCC1=CCCCC1)(O)
InChI=1SC22H27N3O3c115891817(1215)1322(1424(18)2)19(26)2321(28)25(20(22)27)1110166435716h68912H35710111314H212H3(H232628)
MFCD18249805
ZINC000009358159
ZINC000009358164
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