Vitas-M small molecule compound
2-{(E)-[1-(butan-2-yl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-N-phenylhydrazinecarbothioamide
Catalog ID
STK575465
SMILES CCC(N1C(=NC(=O)/C(=C\NNC(=S)Nc2ccccc2)/C1=O)S)C
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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 C16H19N5O2S2 MW 377.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N5O2S2/c1-3-10(2)21-14(23)12(13(22)19-16(21)25)9-17-20-15(24)18-11-7-5-4-6-8-11/h4-10,17H,3H2,1-2H3,(H2,18,20,24)(H,19,22,25)/b12-9+InChIKey
PGTOACMXESJFEK-FMIVXFBMSA-NSynonyms
1(((E)(1butan2yl46dioxo2sulfanylidene13diazinan5ylidene)methyl)amino)3phenylthiourea
2((E)(1(butan2yl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)Nphenylhydrazinecarbothioamide
CCC(C)N1C(=O)C(=CNNC(=S)NC2=CC=CC=C2)C(=O)NC1=S
CCC(N1C(=NC(=O)C(=CNNC(=S)Nc2ccccc2)C1=O)S)C
InChI=1SC16H19N5O2S2c1310(2)2114(23)12(13(22)1916(21)25)9172015(24)18117546811h41017H3H212H3(H2182024)(H192225)b129+
MFCD07200312
ZINC000009109602
ZINC000009111102
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