Vitas-M small molecule compound

ethyl 4-(5-butyl-2-thioxo-1,3,5-triazinan-1-yl)benzoate

Catalog ID
STL308301
SMILES CCCCN1CNC(=S)N(C1)c1ccc(cc1)C(=O)OCC

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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 C16H23N3O2S MW 321.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23N3O2S/c1-3-5-10-18-11-17-16(22)19(12-18)14-8-6-13(7-9-14)15(20)21-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,17,22)
InChIKey
IGVPPRFLTFDATE-UHFFFAOYSA-N
Synonyms
799816-13-0
4(5BUTYL2SULFANYLIDENE135TRIAZINAN1YL)BENZOICACIDETHYLESTER
4(5BUTYL2THIOXO(135)TRIAZINAN1YL)BENZOICACIDETHYLESTER
4(5BUTYL2THIOXO135TRIAZINAN1YL)BENZOICACIDETHYLESTER
799816130
CCCCN1CNC(=S)N(C1)C2=CC=C(C=C2)C(=O)OCC
ETHYL4(5BUTYL2SULFANYLIDENE135TRIAZINAN1YL)BENZOATE
ethyl4(5butyl2thioxo135triazinan1yl)benzoate
InChI=1SC16H23N3O2Sc1351018111716(22)19(1218)148613(7914)15(20)2142h69H351012H212H3(H1722)
MFCD03680785
ZINC000020189908
ZINC20189908

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Available files

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