Vitas-M small molecule compound
(5E)-1-(3,5-dichlorophenyl)-5-[4-(1,3-dihydro-2H-isoindol-2-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL368125
SMILES Clc1cc(Cl)cc(c1)N1C(=S)NC(=O)/C(=C\c2ccc(cc2)N2Cc3c(C2)cccc3)/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 C25H17Cl2N3O2S MW 494.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17Cl2N3O2S/c26-18-10-19(27)12-21(11-18)30-24(32)22(23(31)28-25(30)33)9-15-5-7-20(8-6-15)29-13-16-3-1-2-4-17(16)14-29/h1-12H,13-14H2,(H,28,31,33)/b22-9+InChIKey
BHCJZGHATUCOAI-LSFURLLWSA-NSynonyms
(5E)1(35dichlorophenyl)5((4(13dihydroisoindol2yl)phenyl)methylidene)2sulfanylidene13diazinane46dione
(5E)1(35dichlorophenyl)5(4(13dihydro2Hisoindol2yl)benzylidene)2thioxodihydropyrimidine46(1H5H)dione
C1C2=CC=CC=C2CN1C3=CC=C(C=C3)C=C4C(=O)NC(=S)N(C4=O)C5=CC(=CC(=C5)Cl)Cl
Clc1cc(Cl)cc(c1)N1C(=S)NC(=O)C(=Cc2ccc(cc2)N2Cc3c(C2)cccc3)C1=O
InChI=1SC25H17Cl2N3O2Sc26181019(27)1221(1118)3024(32)22(23(31)2825(30)33)9155720(8615)291316312417(16)1429h112H1314H2(H283133)b229+
MFCD28952046
ZINC000096247944
ZINC96247944
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