Vitas-M small molecule compound

(5E)-5-(3-chloro-4-hydroxybenzylidene)-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK191591
SMILES O=C1NC(=S)N(C(=O)/C/1=C/c1ccc(c(c1)Cl)O)c1ccccc1

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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 C17H11ClN2O3S MW 358.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11ClN2O3S/c18-13-9-10(6-7-14(13)21)8-12-15(22)19-17(24)20(16(12)23)11-4-2-1-3-5-11/h1-9,21H,(H,19,22,24)/b12-8+
InChIKey
CTEDAORQYWZERK-XYOKQWHBSA-N
Synonyms

(5E)5((3CHLORO4HYDROXYPHENYL)METHYLIDENE)1PHENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(3CHLORO4HYDROXYBENZYLIDENE)1PHENYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)O)Cl)C(=O)NC2=S
InChI=1SC17H11ClN2O3Sc1813910(6714(13)21)81215(22)1917(24)20(16(12)23)114213511h1921H(H192224)b128+
MFCD02217966
O=C1NC(=S)N(C(=O)C1=Cc1ccc(c(c1)Cl)O)c1ccccc1
ZINC000001219400
ZINC01219400
ZINC1219400

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Available files

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