Vitas-M small molecule compound
methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK456107
SMILES COC(=O)c1c(NC(=S)Nc2ccc(c(c2)Cl)OC(F)F)sc2c1CCC(C2)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 C19H19ClF2N2O3S2 MW 460.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClF2N2O3S2/c1-9-3-5-11-14(7-9)29-16(15(11)17(25)26-2)24-19(28)23-10-4-6-13(12(20)8-10)27-18(21)22/h4,6,8-9,18H,3,5,7H2,1-2H3,(H2,23,24,28)InChIKey
FCGJAPJRUDMRGJ-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CC(=C(C=C3)OC(F)F)Cl
InChI=1SC19H19ClF2N2O3S2c19351114(79)2916(15(11)17(25)262)2419(28)23104613(12(20)810)2718(21)22h468918H357H212H3(H2232428)
methyl2(((3chloro4(difluoromethoxy)phenyl)carbamothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2((3chloro4(difluoromethoxy)phenyl)carbamothioylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD04137268
ZINC000001119354
ZINC000001119355
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