Vitas-M small molecule compound

4-methoxy-3-({[(2-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid

Catalog ID
STK104020
SMILES COc1ccc(cc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-])C(=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 C16H13N3O6S MW 375.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O6S/c1-25-13-7-6-9(15(21)22)8-11(13)17-16(26)18-14(20)10-4-2-3-5-12(10)19(23)24/h2-8H,1H3,(H,21,22)(H2,17,18,20,26)
InChIKey
RUNDXZGBYLIWSZ-UHFFFAOYSA-N
Synonyms

4METHOXY3((((2NITROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
4METHOXY3((2NITROBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=CC=C2(N+)(=O)(O)
COc1ccc(cc1NC(=S)NC(=O)c1ccccc1(N+)(=O)(O))C(=O)O
InChI=1SC16H13N3O6Sc12513769(15(21)22)811(13)1716(26)1814(20)10423512(10)19(23)24h28H1H3(H2122)(H217182026)
MFCD03565458
ZINC000003000938
ZINC3000938

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Available files

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