Vitas-M small molecule compound

2-(1,3-benzoxazol-3-ium-2-yl)-4-{[(3-methylbutanoyl)carbamothioyl]amino}phenolate

Catalog ID
STL055543
SMILES CC(CC(=O)NC(=S)Nc1ccc(c(c1)c1oc2c([nH+]1)cccc2)[O-])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 C19H19N3O3S MW 369.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O3S/c1-11(2)9-17(24)22-19(26)20-12-7-8-15(23)13(10-12)18-21-14-5-3-4-6-16(14)25-18/h3-8,10-11,23H,9H2,1-2H3,(H2,20,22,24,26)
InChIKey
GLJZFZYXQOJMEV-UHFFFAOYSA-N
Synonyms
842967-71-9
2(13benzoxazol3ium2yl)4(((3methylbutanoyl)carbamothioyl)amino)phenolate
842967719
CC(CC(=O)NC(=S)Nc1ccc(c(c1)c1oc2c((nH+)1)cccc2)(O))C
MFCD03991898
ZINC000001179531

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Available files

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