Vitas-M small molecule compound

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

Catalog ID
STK104261
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1cccc(c1)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/c1-25-13-6-5-9(8-12(13)19(23)24)14(20)18-16(26)17-11-4-2-3-10(7-11)15(21)22/h2-8H,1H3,(H,21,22)(H2,17,18,20,26)
InChIKey
KZJYTHNPFSZYOT-UHFFFAOYSA-N
Synonyms

3((((4METHOXY3NITROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
3((4METHOXY3NITROBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1cccc(c1)C(=O)O
InChI=1SC16H13N3O6Sc12513659(812(13)19(23)24)14(20)1816(26)171142310(711)15(21)22h28H1H3(H2122)(H217182026)
MFCD03241872
ZINC000002998291
ZINC2998291

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Available files

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