Vitas-M small molecule compound

4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-3-methoxyphenyl thiocyanate

Catalog ID
STL295870
SMILES N#CSc1ccc(c(c1)OC)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 C13H10N4O3S2 MW 334.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10N4O3S2/c1-20-10-4-7(22-6-14)2-3-9(10)15-5-8-11(18)16-13(21)17-12(8)19/h2-5,15H,1H3,(H2,16,17,18,19,21)
InChIKey
KKYXWMACVQPOIB-UHFFFAOYSA-N
Synonyms

(4((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYLAMINO)3METHOXYPHENYL)THIOCYANATE
4(((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)3methoxyphenylthiocyanate
COC1=C(C=CC(=C1)SC#N)NC=C2C(=O)NC(=S)NC2=O
InChI=1SC13H10N4O3S2c1201047(22614)239(10)155811(18)1613(21)1712(8)19h2515H1H3(H21617181921)
MFCD01132988
ZINC000006239302
ZINC06239302
ZINC6239302

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Available files

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