Vitas-M small molecule compound
(5Z)-5-{[(1-benzylpiperidinium-4-yl)amino]methylidene}-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL052004
SMILES COc1cc(CCN2C(=O)N=C(/C(=C/NC3CC[NH+](CC3)Cc3ccccc3)/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 C27H32N4O5 MW 492.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O5/c1-35-23-9-8-19(16-24(23)36-2)10-15-31-26(33)22(25(32)29-27(31)34)17-28-21-11-13-30(14-12-21)18-20-6-4-3-5-7-20/h3-9,16-17,21,28H,10-15,18H2,1-2H3,(H,29,32,34)/b22-17-InChIKey
VTSYFCGXNBVLOW-XLNRJJMWSA-NSynonyms
(5Z)5(((1BENZYLPIPERIDIN1IUM4YL)AMINO)METHYLIDENE)1(2(34DIMETHOXYPHENYL)ETHYL)46DIOXOPYRIMIDIN2OLATE
(5Z)5(((1BENZYLPIPERIDIN4YL)AMINO)METHYLIDENE)1(2(34DIMETHOXYPHENYL)ETHYL)13DIAZINANE246TRIONE
(5Z)5(((1benzylpiperidinium4yl)amino)methylidene)1(2(34dimethoxyphenyl)ethyl)26dioxo1256tetrahydropyrimidin4olate
COC1=C(C=C(C=C1)CCN2C(=O)C(=CNC3CC(NH+)(CC3)CC4=CC=CC=C4)C(=O)N=C2(O))OC
COc1cc(CCN2C(=O)N=C(C(=CNC3CC(NH+)(CC3)Cc3ccccc3)C2=O)(O))ccc1OC
InChI=1SC27H32N4O5c135239819(1624(23)362)10153126(33)22(25(32)2927(31)34)172821111330(141221)18206435720h3916172128H101518H212H3(H293234)b2217
MFCD18249434
ZINC000020501966
ZINC20501966
Check stock
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