Vitas-M small molecule compound
ethyl 4-({[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]carbamothioyl}amino)benzoate
Catalog ID
STK113847
SMILES CCOC(=O)c1ccc(cc1)NC(=S)NN1CCC(=CC1)c1ccc(cc1)F
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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 C21H22FN3O2S MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN3O2S/c1-2-27-20(26)17-5-9-19(10-6-17)23-21(28)24-25-13-11-16(12-14-25)15-3-7-18(22)8-4-15/h3-11H,2,12-14H2,1H3,(H2,23,24,28)InChIKey
OFFJSHRTNKAJKW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=S)NN2CCC(=CC2)C3=CC=C(C=C3)F
ETHYL4(((4(4FLUOROPHENYL)36DIHYDROPYRIDIN1(2H)YL)CARBAMOTHIOYL)AMINO)BENZOATE
ETHYL4((4(4FLUOROPHENYL)36DIHYDRO2HPYRIDIN1YL)CARBAMOTHIOYLAMINO)BENZOATE
InChI=1SC21H22FN3O2Sc122720(26)175919(10617)2321(28)2425131116(121425)153718(22)8415h311H21214H21H3(H2232428)
MFCD03916291
ZINC000002728762
ZINC02728762
ZINC2728762
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