Vitas-M small molecule compound

methyl 2-({[(4-methylphenoxy)acetyl]carbamothioyl}amino)benzoate

Catalog ID
STK085059
SMILES COC(=O)c1ccccc1NC(=S)NC(=O)COc1ccc(cc1)C

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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/c1-12-7-9-13(10-8-12)24-11-16(21)20-18(25)19-15-6-4-3-5-14(15)17(22)23-2/h3-10H,11H2,1-2H3,(H2,19,20,21,25)
InChIKey
LGPNMAARFFLENO-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC=C2C(=O)OC
COC(=O)c1ccccc1NC(=S)NC(=O)COc1ccc(cc1)C
InChI=1SC18H18N2O4Sc1127913(10812)241116(21)2018(25)1915643514(15)17(22)232h310H11H212H3(H219202125)
METHYL2(((((4METHYLPHENOXY)ACETYL)AMINO)CARBONOTHIOYL)AMINO)BENZOATE
METHYL2((((4METHYLPHENOXY)ACETYL)CARBAMOTHIOYL)AMINO)BENZOATE
METHYL2((2(4METHYLPHENOXY)ACETYL)CARBAMOTHIOYLAMINO)BENZOATE
MFCD02624726
STK085059
ZINC000001180328
ZINC01180328
ZINC1180328

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Available files

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