Vitas-M small molecule compound
2-fluoro-N-{[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl}benzamide
Catalog ID
STK234114
SMILES CCCCC(=O)Nc1ccc(cc1OC)NC(=S)NC(=O)c1ccccc1F
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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 C20H22FN3O3S MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22FN3O3S/c1-3-4-9-18(25)23-16-11-10-13(12-17(16)27-2)22-20(28)24-19(26)14-7-5-6-8-15(14)21/h5-8,10-12H,3-4,9H2,1-2H3,(H,23,25)(H2,22,24,26,28)InChIKey
KILNXEWJWOAQEC-UHFFFAOYSA-NSynonyms
2fluoroN((3methoxy4(pentanoylamino)phenyl)carbamothioyl)benzamide
CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2F)OC
InChI=1SC20H22FN3O3Sc134918(25)2316111013(1217(16)272)2220(28)2419(26)14756815(14)21h581012H349H212H3(H2325)(H222242628)
MFCD03553904
ZINC000002821506
ZINC02821506
ZINC2821506
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