Vitas-M small molecule compound
(5E)-1-(2,3-dichlorophenyl)-5-[4-(1,3-dihydro-2H-isoindol-2-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL368122
SMILES O=C1NC(=S)N(C(=O)/C/1=C/c1ccc(cc1)N1Cc2c(C1)cccc2)c1cccc(c1Cl)Cl
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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/c26-20-6-3-7-21(22(20)27)30-24(32)19(23(31)28-25(30)33)12-15-8-10-18(11-9-15)29-13-16-4-1-2-5-17(16)14-29/h1-12H,13-14H2,(H,28,31,33)/b19-12+InChIKey
ALYRLUGGOONALC-XDHOZWIPSA-NSynonyms
(5E)1(23dichlorophenyl)5((4(13dihydroisoindol2yl)phenyl)methylidene)2sulfanylidene13diazinane46dione
(5E)1(23dichlorophenyl)5(4(13dihydro2Hisoindol2yl)benzylidene)2thioxodihydropyrimidine46(1H5H)dione
C1C2=CC=CC=C2CN1C3=CC=C(C=C3)C=C4C(=O)NC(=S)N(C4=O)C5=C(C(=CC=C5)Cl)Cl
InChI=1SC25H17Cl2N3O2Sc262063721(22(20)27)3024(32)19(23(31)2825(30)33)121581018(11915)291316412517(16)1429h112H1314H2(H283133)b1912+
MFCD28952043
O=C1NC(=S)N(C(=O)C1=Cc1ccc(cc1)N1Cc2c(C1)cccc2)c1cccc(c1Cl)Cl
ZINC000095925752
ZINC95925752
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