Vitas-M small molecule compound
dipropan-2-yl 5-{[(3-chloro-4-fluorophenyl)carbamothioyl]amino}benzene-1,3-dicarboxylate
Catalog ID
STK459455
SMILES CC(OC(=O)c1cc(NC(=S)Nc2ccc(c(c2)Cl)F)cc(c1)C(=O)OC(C)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 C21H22ClFN2O4S MW 452.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClFN2O4S/c1-11(2)28-19(26)13-7-14(20(27)29-12(3)4)9-16(8-13)25-21(30)24-15-5-6-18(23)17(22)10-15/h5-12H,1-4H3,(H2,24,25,30)InChIKey
VHMDXBPTNVCYLL-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC(=C(C=C2)F)Cl)C(=O)OC(C)C
dipropan2yl5(((3chloro4fluorophenyl)carbamothioyl)amino)benzene13dicarboxylate
DIPROPAN2YL5((3CHLORO4FLUOROPHENYL)CARBAMOTHIOYLAMINO)BENZENE13DICARBOXYLATE
InChI=1SC21H22ClFN2O4Sc111(2)2819(26)13714(20(27)2912(3)4)916(813)2521(30)24155618(23)17(22)1015h512H14H3(H2242530)
METHYLETHYL5((((3CHLORO4FLUOROPHENYL)AMINO)THIOXOMETHYL)AMINO)3((METHYLETHYL)OXYCARBONYL)BENZOATE
MFCD05059173
ZINC000001119044
ZINC01119044
ZINC1119044
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