Vitas-M small molecule compound
(5E)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-1-(2-chlorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL372520
SMILES O=C1NC(=O)N(C(=O)/C/1=C/NCc1ccc2c(c1)OCO2)Cc1ccccc1Cl
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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 C20H16ClN3O5 MW 413.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O5/c21-15-4-2-1-3-13(15)10-24-19(26)14(18(25)23-20(24)27)9-22-8-12-5-6-16-17(7-12)29-11-28-16/h1-7,9,22H,8,10-11H2,(H,23,25,27)/b14-9+InChIKey
FTFYYKQPQOZXNY-NTEUORMPSA-NSynonyms
(5E)5(((13benzodioxol5ylmethyl)amino)methylidene)1(2chlorobenzyl)pyrimidine246(1H3H5H)trione
(5E)5((13BENZODIOXOL5YLMETHYLAMINO)METHYLIDENE)1((2CHLOROPHENYL)METHYL)13DIAZINANE246TRIONE
C1OC2=C(O1)C=C(C=C2)CNC=C3C(=O)NC(=O)N(C3=O)CC4=CC=CC=C4Cl
InChI=1SC20H16ClN3O5c2115421313(15)102419(26)14(18(25)2320(24)27)922812561617(712)29112816h17922H81011H2(H232527)b149+
MFCD03993876
O=C1NC(=O)N(C(=O)C1=CNCc1ccc2c(c1)OCO2)Cc1ccccc1Cl
ZINC000005649797
ZINC05649797
ZINC5649797
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