Vitas-M small molecule compound
(5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[(4-methylpiperazin-4-ium-1-yl)amino]methylidene}-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL041688
SMILES COc1cc(CCN2C(=O)N=C(/C(=C\NN3CC[NH+](CC3)C)/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 C20H27N5O5 MW 417.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N5O5/c1-23-8-10-24(11-9-23)21-13-15-18(26)22-20(28)25(19(15)27)7-6-14-4-5-16(29-2)17(12-14)30-3/h4-5,12-13,21H,6-11H2,1-3H3,(H,22,26,28)/b15-13+InChIKey
BGWAKEJUGDCNPH-FYWRMAATSA-NSynonyms
(5E)1(2(34DIMETHOXYPHENYL)ETHYL)5(((4METHYLPIPERAZIN1YL)AMINO)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(2(34dimethoxyphenyl)ethyl)5(((4methylpiperazin4ium1yl)amino)methylidene)26dioxo1256tetrahydropyrimidin4olate
(5E)1(2(34DIMETHOXYPHENYL)ETHYL)5(((4METHYLPIPERAZIN4IUM1YL)AMINO)METHYLIDENE)46DIOXOPYRIMIDIN2OLATE
CN1CCN(CC1)NC=C2C(=O)NC(=O)N(C2=O)CCC3=CC(=C(C=C3)OC)OC
COc1cc(CCN2C(=O)N=C(C(=CNN3CC(NH+)(CC3)C)C2=O)(O))ccc1OC
InChI=1SC20H27N5O5c12381024(11923)21131518(26)2220(28)25(19(15)27)76144516(292)17(1214)303h45121321H611H213H3(H222628)b1513+
MFCD18248112
ZINC000020357428
ZINC20357428
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