Vitas-M small molecule compound
1',6'-dimethyl-1-(4-methylpentyl)-2,6-dioxo-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate
Catalog ID
STL529273
SMILES CC(CCCN1C(=O)N=C(C2(C1=O)C[NH+](C)c1c(C2)cc(cc1)C)[O-])C
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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 C20H27N3O3 MW 357.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O3/c1-13(2)6-5-9-23-18(25)20(17(24)21-19(23)26)11-15-10-14(3)7-8-16(15)22(4)12-20/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H,21,24,26)InChIKey
ZVAGPWZYFCPMEM-UHFFFAOYSA-NSynonyms
859861-21-516dimethyl1(4methylpentyl)26dioxo1146tetrahydro2H2Hspiro(pyrimidine53quinolinium)4olate
16dimethyl1(4methylpentyl)26dioxospiro(24dihydro1~(H)quinolin1ium35pyrimidine)4olate
16DIMETHYL1(4METHYLPENTYL)46DIOXOSPIRO(24DIHYDRO1HQUINOLIN1IUM35PYRIMIDINE)2OLATE
4978936
859861215
InChI=1SC20H27N3O3c113(2)6592318(25)20(17(24)2119(23)26)11151014(3)7816(15)22(4)1220h781013H5691112H214H3(H212426)
MFCD31753934
ZINC000009359799
ZINC000009397309
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