Vitas-M small molecule compound
(5Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dioxo-5-({[3-(piperidinium-1-yl)propyl]amino}methylidene)-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL048760
SMILES COc1cc(CCN2C(=O)N=C(/C(=C/NCCC[NH+]3CCCCC3)/C2=O)[O-])ccc1OC
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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 C23H32N4O5 MW 444.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32N4O5/c1-31-19-8-7-17(15-20(19)32-2)9-14-27-22(29)18(21(28)25-23(27)30)16-24-10-6-13-26-11-4-3-5-12-26/h7-8,15-16,24H,3-6,9-14H2,1-2H3,(H,25,28,30)/b18-16-InChIKey
YLWDTCXHPPCJOV-VLGSPTGOSA-NSynonyms
(5Z)1(2(34dimethoxyphenyl)ethyl)26dioxo5(((3(piperidinium1yl)propyl)amino)methylidene)1256tetrahydropyrimidin4olate
(5Z)1(2(34DIMETHOXYPHENYL)ETHYL)5((3PIPERIDIN1YLPROPYLAMINO)METHYLIDENE)13DIAZINANE246TRIONE
COC1=C(C=C(C=C1)CCN2C(=O)C(=CNCCCN3CCCCC3)C(=O)NC2=O)OC
COc1cc(CCN2C(=O)N=C(C(=CNCCC(NH+)3CCCCC3)C2=O)(O))ccc1OC
InChI=1SC23H32N4O5c131198717(1520(19)322)9142722(29)18(21(28)2523(27)30)16241061326114351226h78151624H36914H212H3(H252830)b1816
MFCD18249222
ZINC000020266283
ZINC20266283
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