Vitas-M small molecule compound
(5E)-1-(2,3-dichlorophenyl)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK195562
SMILES CCn1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)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 C19H17Cl2N3O2S MW 422.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17Cl2N3O2S/c1-4-23-10(2)8-12(11(23)3)9-13-17(25)22-19(27)24(18(13)26)15-7-5-6-14(20)16(15)21/h5-9H,4H2,1-3H3,(H,22,25,27)/b13-9+InChIKey
YIBAEHKHSMKOCQ-UKTHLTGXSA-NSynonyms
(5E)1(23DICHLOROPHENYL)5((1ETHYL25DIMETHYL1HPYRROL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(23DICHLOROPHENYL)5((1ETHYL25DIMETHYLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CCN1C(=CC(=C1C)C=C2C(=O)NC(=S)N(C2=O)C3=C(C(=CC=C3)Cl)Cl)C
CCn1c(C)cc(c1C)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1Cl)Cl
InChI=1SC19H17Cl2N3O2Sc142310(2)812(11(23)3)91317(25)2219(27)24(18(13)26)1575614(20)16(15)21h59H4H213H3(H222527)b139+
MFCD03993777
ZINC000001125571
ZINC01125571
ZINC1125571
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