Vitas-M small molecule compound

methyl 8-bromo-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate

Catalog ID
STL134500
SMILES COC(=O)C1C2NC(=S)N(C1(C)Oc1c2cc(Br)cc1)c1ccccc1

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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 C19H17BrN2O3S MW 433.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrN2O3S/c1-19-15(17(23)24-2)16(13-10-11(20)8-9-14(13)25-19)21-18(26)22(19)12-6-4-3-5-7-12/h3-10,15-16H,1-2H3,(H,21,26)
InChIKey
QKQYDBUGUMVYFH-UHFFFAOYSA-N
Synonyms

CC12C(C(C3=C(O1)C=CC(=C3)Br)NC(=S)N2C4=CC=CC=C4)C(=O)OC
InChI=1SC19H17BrN2O3Sc11915(17(23)242)16(131011(20)8914(13)2519)2118(26)22(19)126435712h3101516H12H3(H2126)
methyl8bromo2methyl3phenyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
MFCD14746278
ZINC000104771158
ZINC000104771160

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Available files

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