Vitas-M small molecule compound

(5E)-1-benzyl-5-(1-{[3-(diethylammonio)propyl]amino}ethylidene)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate

Catalog ID
STL053378
SMILES CC[NH+](CCCN/C(=C/1\C(=NC(=O)N(C1=O)Cc1ccccc1)[O-])/C)CC

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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 C20H28N4O3 MW 372.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N4O3/c1-4-23(5-2)13-9-12-21-15(3)17-18(25)22-20(27)24(19(17)26)14-16-10-7-6-8-11-16/h6-8,10-11,21H,4-5,9,12-14H2,1-3H3,(H,22,25,27)/b17-15+
InChIKey
HEUCOGZUGAIPSL-BMRADRMJSA-N
Synonyms

(5E)1benzyl5(1((3(diethylammonio)propyl)amino)ethylidene)26dioxo1256tetrahydropyrimidin4olate
(5E)1BENZYL5(1(3(DIETHYLAMINO)PROPYLAMINO)ETHYLIDENE)13DIAZINANE246TRIONE
CC(NH+)(CCCNC(=C1C(=NC(=O)N(C1=O)Cc1ccccc1)(O))C)CC
CCN(CC)CCCNC(=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)C
InChI=1SC20H28N4O3c1423(52)139122115(3)1718(25)2220(27)24(19(17)26)1416107681116h68101121H4591214H213H3(H222527)b1715+
MFCD18249531
ZINC000020326052
ZINC20326052

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Available files

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