Vitas-M small molecule compound

methyl 4-({[(3-methyl-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate

Catalog ID
STK381262
SMILES COC(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccc(c(c1)C)[N+](=O)[O-]

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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 C17H15N3O5S MW 373.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O5S/c1-10-9-12(5-8-14(10)20(23)24)15(21)19-17(26)18-13-6-3-11(4-7-13)16(22)25-2/h3-9H,1-2H3,(H2,18,19,21,26)
InChIKey
FAMHCFIROGKTAU-UHFFFAOYSA-N
Synonyms

CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)(N+)(=O)(O)
COC(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccc(c(c1)C)(N+)(=O)(O)
InChI=1SC17H15N3O5Sc110912(5814(10)20(23)24)15(21)1917(26)18136311(4713)16(22)252h39H12H3(H218192126)
methyl4((((3methyl4nitrophenyl)carbonyl)carbamothioyl)amino)benzoate
METHYL4((((3METHYL4NITROPHENYL)CARBONYLAMINO)THIOXOMETHYL)AMINO)BENZOATE
METHYL4((3METHYL4NITROBENZOYL)CARBAMOTHIOYLAMINO)BENZOATE
MFCD03834850
ZINC000004090482
ZINC04090482
ZINC4090482

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Available files

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