Vitas-M small molecule compound

ethyl 3-benzyl-7-cyano-6-thioxo-1,3,4,6-tetrahydro-2H-pyrido[1,2-a][1,3,5]triazine-9-carboxylate

Catalog ID
STK827056
SMILES CCOC(=O)c1cc(C#N)c(=S)n2c1NCN(C2)Cc1ccccc1

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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 C18H18N4O2S MW 354.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O2S/c1-2-24-18(23)15-8-14(9-19)17(25)22-12-21(11-20-16(15)22)10-13-6-4-3-5-7-13/h3-8,20H,2,10-12H2,1H3
InChIKey
XUUPWGPPYPXXLC-UHFFFAOYSA-N
Synonyms
919732-03-9
919732039
CCOC(=O)C1=C2NCN(CN2C(=S)C(=C1)C#N)CC3=CC=CC=C3
ethyl3benzyl7cyano6sulfanylidene24dihydro1Hpyrido(12a)(135)triazine9carboxylate
ethyl3benzyl7cyano6thioxo1346tetrahydro2Hpyrido(12a)(135)triazine9carboxylate
ethyl3benzyl7cyano6thioxo2346tetrahydro1Hpyrido(12a)(135)triazine9carboxylate
InChI=1SC18H18N4O2Sc122418(23)15814(919)17(25)221221(112016(15)22)10136435713h3820H21012H21H3
MFCD08750549
ZINC000009419590
ZINC9419590

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Available files

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