Vitas-M small molecule compound

(5E)-1-(2,3-dichlorophenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK196844
SMILES O=C1NC(=S)N(C(=O)/C/1=C/c1cccn1c1ccccc1)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 C21H13Cl2N3O2S MW 442.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13Cl2N3O2S/c22-16-9-4-10-17(18(16)23)26-20(28)15(19(27)24-21(26)29)12-14-8-5-11-25(14)13-6-2-1-3-7-13/h1-12H,(H,24,27,29)/b15-12+
InChIKey
VZLAQCBVEUZSDY-NTCAYCPXSA-N
Synonyms
428832-22-8
(5E)1(23DICHLOROPHENYL)5((1PHENYL1HPYRROL2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(23DICHLOROPHENYL)5((1PHENYLPYRROL2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
428832228
C1=CC=C(C=C1)N2C=CC=C2C=C3C(=O)NC(=S)N(C3=O)C4=C(C(=CC=C4)Cl)Cl
InChI=1SC21H13Cl2N3O2Sc2216941017(18(16)23)2620(28)15(19(27)2421(26)29)1214851125(14)136213713h112H(H242729)b1512+
MFCD02605241
O=C1NC(=S)N(C(=O)C1=Cc1cccn1c1ccccc1)c1cccc(c1Cl)Cl
ZINC000002805766
ZINC02805766
ZINC2805766

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Available files

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