Vitas-M small molecule compound
4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}phenyl thiocyanate
Catalog ID
STL294915
SMILES N#CSc1ccc(cc1)NC=C1C(=O)NC(=S)NC1=O
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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 C12H8N4O2S2 MW 304.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H8N4O2S2/c13-6-20-8-3-1-7(2-4-8)14-5-9-10(17)15-12(19)16-11(9)18/h1-5,14H,(H2,15,16,17,18,19)InChIKey
WROLPSMTEBOCEL-UHFFFAOYSA-NSynonyms
(4((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYLAMINO)PHENYL)THIOCYANATE
4(((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)phenylthiocyanate
5((4THIOCYANATOPHENYLAMINO)METHYLENE)2THIOXODIHYDROPYRIMIDINE46DIONE
C1=CC(=CC=C1NC=C2C(=O)NC(=S)NC2=O)SC#N
InChI=1SC12H8N4O2S2c136208317(248)145910(17)1512(19)1611(9)18h1514H(H21516171819)
MFCD01132987
ZINC000006025516
ZINC06025516
ZINC6025516
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