Vitas-M small molecule compound

4-[(propanoylcarbamothioyl)amino]benzoic acid

Catalog ID
STK105308
SMILES CCC(=O)NC(=S)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 C11H12N2O3S MW 252.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H12N2O3S/c1-2-9(14)13-11(17)12-8-5-3-7(4-6-8)10(15)16/h3-6H,2H2,1H3,(H,15,16)(H2,12,13,14,17)
InChIKey
VTEJEPQNWPIFAH-UHFFFAOYSA-N
Synonyms
435286-96-7
4((PROPANOYLCARBAMOTHIOYL)AMINO)BENZOICACID
4(PROPANOYLCARBAMOTHIOYLAMINO)BENZOICACID
435286967
BENZOICACID4((((1OXOPROPYL)AMINO)THIOXOMETHYL)AMINO)
CCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)O
InChI=1SC11H12N2O3Sc129(14)1311(17)128537(468)10(15)16h36H2H21H3(H1516)(H212131417)
MFCD03570350
ZINC000000312086
ZINC312086

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Available files

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