Vitas-M small molecule compound

propyl 4-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate

Catalog ID
STK148517
SMILES CCCOC(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccco1

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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 C18H18N2O4S MW 358.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O4S/c1-2-11-24-17(22)13-5-7-14(8-6-13)19-18(25)20-16(21)10-9-15-4-3-12-23-15/h3-10,12H,2,11H2,1H3,(H2,19,20,21,25)/b10-9+
InChIKey
CANHZWKXWBTLCK-MDZDMXLPSA-N
Synonyms

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CO2
CCCOC(=O)c1ccc(cc1)NC(=S)NC(=O)C=Cc1ccco1
InChI=1SC18H18N2O4Sc12112417(22)135714(8613)1918(25)2016(21)1091543122315h31012H211H21H3(H219202125)b109+
MFCD03137887
PROPYL4((((2E)3(FURAN2YL)PROP2ENOYL)CARBAMOTHIOYL)AMINO)BENZOATE
PROPYL4(((E)3(FURAN2YL)PROP2ENOYL)CARBAMOTHIOYLAMINO)BENZOATE
ZINC000002843815
ZINC02843815
ZINC2843815

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Available files

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