Vitas-M small molecule compound
(5Z)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-1-(3,5-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL372370
SMILES Clc1cc(Cl)cc(c1)N1C(=S)NC(=O)/C(=C/NCc2ccc3c(c2)OCO3)/C1=O
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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 C19H13Cl2N3O4S MW 450.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13Cl2N3O4S/c20-11-4-12(21)6-13(5-11)24-18(26)14(17(25)23-19(24)29)8-22-7-10-1-2-15-16(3-10)28-9-27-15/h1-6,8,22H,7,9H2,(H,23,25,29)/b14-8-InChIKey
VBNSVFXIBRBHKW-ZSOIEALJSA-NSynonyms
(5Z)5(((13benzodioxol5ylmethyl)amino)methylidene)1(35dichlorophenyl)2thioxodihydropyrimidine46(1H5H)dione
(5Z)5((13benzodioxol5ylmethylamino)methylidene)1(35dichlorophenyl)2sulfanylidene13diazinane46dione
C1OC2=C(O1)C=C(C=C2)CNC=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC(=C4)Cl)Cl
Clc1cc(Cl)cc(c1)N1C(=S)NC(=O)C(=CNCc2ccc3c(c2)OCO3)C1=O
InChI=1SC19H13Cl2N3O4Sc2011412(21)613(511)2418(26)14(17(25)2319(24)29)822710121516(310)2892715h16822H79H2(H232529)b148
MFCD02908780
ZINC000098086651
ZINC98086651
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