Vitas-M small molecule compound
(5E)-1-(2,3-dichlorophenyl)-5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192764
SMILES O=C1NC(=S)N(C(=O)/C/1=C/c1cc(n(c1C)c1ccncc1)C)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 C22H16Cl2N4O2S MW 471.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16Cl2N4O2S/c1-12-10-14(13(2)27(12)15-6-8-25-9-7-15)11-16-20(29)26-22(31)28(21(16)30)18-5-3-4-17(23)19(18)24/h3-11H,1-2H3,(H,26,29,31)/b16-11+InChIKey
KZSCJUNMYZPGMW-LFIBNONCSA-NSynonyms
431914-10-2(5E)1(23DICHLOROPHENYL)5((25DIMETHYL1(PYRIDIN4YL)1HPYRROL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(23DICHLOROPHENYL)5((25DIMETHYL1PYRIDIN4YLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
431914102
CC1=CC(=C(N1C2=CC=NC=C2)C)C=C3C(=O)NC(=S)N(C3=O)C4=C(C(=CC=C4)Cl)Cl
InChI=1SC22H16Cl2N4O2Sc1121014(13(2)27(12)1568259715)111620(29)2622(31)28(21(16)30)1853417(23)19(18)24h311H12H3(H262931)b1611+
MFCD03140767
O=C1NC(=S)N(C(=O)C1=Cc1cc(n(c1C)c1ccncc1)C)c1cccc(c1Cl)Cl
ZINC000009311564
ZINC09311564
ZINC9311564
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