Vitas-M small molecule compound

propyl 4-[({[3-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoate

Catalog ID
STK031937
SMILES CCCOC(=O)c1ccc(cc1)NC(=S)NC(=O)c1cccc(c1)OC(C)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 C21H24N2O4S MW 400.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O4S/c1-4-12-26-20(25)15-8-10-17(11-9-15)22-21(28)23-19(24)16-6-5-7-18(13-16)27-14(2)3/h5-11,13-14H,4,12H2,1-3H3,(H2,22,23,24,28)
InChIKey
ZLVFFWKHSSMSQU-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OC(C)C
CCCOC(=O)c1ccc(cc1)NC(=S)NC(=O)c1cccc(c1)OC(C)C
InChI=1SC21H24N2O4Sc14122620(25)1581017(11915)2221(28)2319(24)1665718(1316)2714(2)3h5111314H412H213H3(H222232428)
MFCD02603082
PROPYL4((((3(PROPAN2YLOXY)PHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOATE
PROPYL4((3PROPAN2YLOXYBENZOYL)CARBAMOTHIOYLAMINO)BENZOATE
STK031937
ZINC000004089696
ZINC04089696
ZINC4089696

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Available files

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