Vitas-M small molecule compound
5-{[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL295635
SMILES O=C1NC(=S)NC(=O)C1=CNc1nnc(s1)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 C13H9N5O2S2 MW 331.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9N5O2S2/c19-9-8(10(20)16-12(21)15-9)6-14-13-18-17-11(22-13)7-4-2-1-3-5-7/h1-6H,(H,14,18)(H2,15,16,19,20,21)InChIKey
IJXBWJNBUVONRE-UHFFFAOYSA-NSynonyms
5(((5phenyl134thiadiazol2yl)amino)methylidene)2sulfanylidene13diazinane46dione
5(((5phenyl134thiadiazol2yl)amino)methylidene)2thioxodihydropyrimidine46(1H5H)dione
C1=CC=C(C=C1)C2=NN=C(S2)NC=C3C(=O)NC(=S)NC3=O
InChI=1SC13H9N5O2S2c1998(10(20)1612(21)159)61413181711(2213)7421357h16H(H1418)(H21516192021)
MFCD01132980
ZINC000095471056
ZINC95471056
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