Vitas-M small molecule compound

ethyl 4-{[(pyridin-3-ylmethyl)carbamothioyl]amino}benzoate

Catalog ID
STK868458
SMILES CCOC(=O)c1ccc(cc1)NC(=S)NCc1cccnc1

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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 C16H17N3O2S MW 315.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O2S/c1-2-21-15(20)13-5-7-14(8-6-13)19-16(22)18-11-12-4-3-9-17-10-12/h3-10H,2,11H2,1H3,(H2,18,19,22)
InChIKey
UDZCFFSHBAGNLD-UHFFFAOYSA-N
Synonyms
351060-56-5
351060565
4(3PYRIDIN3YLMETHYLTHIOUREIDO)BENZOICACIDETHYLESTER
CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CN=CC=C2
ETHYL4((((3PYRIDYLMETHYL)AMINO)CARBOTHIOYL)AMINO)BENZOATE
ethyl4(((pyridin3ylmethyl)carbamothioyl)amino)benzoate
ethyl4(3(pyridin3ylmethyl)thioureido)benzoate
ETHYL4(PYRIDIN3YLMETHYLCARBAMOTHIOYLAMINO)BENZOATE
InChI=1SC16H17N3O2Sc122115(20)135714(8613)1916(22)181112439171012h310H211H21H3(H2181922)
MFCD00121920
ZINC000005499822
ZINC00079373
ZINC05499822
ZINC5499822

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Available files

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