Vitas-M small molecule compound

2-methylpropyl 2-methyl-3-(4-methylphenyl)-2-thiocyanatopropanoate

Catalog ID
STL570357
SMILES N#CSC(C(=O)OCC(C)C)(Cc1ccc(cc1)C)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 C16H21NO2S MW 291.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21NO2S/c1-12(2)10-19-15(18)16(4,20-11-17)9-14-7-5-13(3)6-8-14/h5-8,12H,9-10H2,1-4H3
InChIKey
JBKQDHBWZZFOEF-UHFFFAOYSA-N
Synonyms

2METHYLPROPYL2CYANOTHIO2METHYL3(4METHYLPHENYL)PROPANOATE
2methylpropyl2methyl3(4methylphenyl)2thiocyanatopropanoate
3525725
InChI=1SC16H21NO2Sc112(2)101915(18)16(4201117)9147513(3)6814h5812H910H214H3
isobutyl2methyl2thiocyanato3(ptolyl)propanoate
MFCD01184316
ZINC000002291014
ZINC000002291015

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Available files

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