Vitas-M small molecule compound

4-{[(pyridin-3-ylcarbonyl)carbamothioyl]amino}benzoic acid

Catalog ID
STK541004
SMILES S=C(NC(=O)c1cccnc1)Nc1ccc(cc1)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 C14H11N3O3S MW 301.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11N3O3S/c18-12(10-2-1-7-15-8-10)17-14(21)16-11-5-3-9(4-6-11)13(19)20/h1-8H,(H,19,20)(H2,16,17,18,21)
InChIKey
JJGCVMSIBAQARG-UHFFFAOYSA-N
Synonyms
369404-07-9
369404079
4(((pyridin3ylcarbonyl)carbamothioyl)amino)benzoicacid
4(3(PYRIDINE3CARBONYL)THIOUREIDO)BENZOICACID
4(3nicotinoylthioureido)benzoicacid
4(PYRIDINE3CARBONYLCARBAMOTHIOYLAMINO)BENZOICACID
C1=CC(=CN=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O
InChI=1SC14H11N3O3Sc1812(1021715810)1714(21)1611539(4611)13(19)20h18H(H1920)(H216171821)
MFCD01994222
ZINC000000377269
ZINC377269

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.