Vitas-M small molecule compound
ethyl 2-{[({4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK961432
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(cc2)Cn2ncc(c2)Br)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 C24H25BrN4O3S2 MW 561.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25BrN4O3S2/c1-3-32-23(31)20-18-9-4-14(2)10-19(18)34-22(20)28-24(33)27-21(30)16-7-5-15(6-8-16)12-29-13-17(25)11-26-29/h5-8,11,13-14H,3-4,9-10,12H2,1-2H3,(H2,27,28,30,33)InChIKey
QDFMLVUOTQXYOA-UHFFFAOYSA-NSynonyms
494218-35-8494218358
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br
ethyl2((((4((4bromo1Hpyrazol1yl)methyl)phenyl)carbonyl)carbamothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((4((4bromopyrazol1yl)methyl)benzoyl)carbamothioylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC24H25BrN4O3S2c133223(31)20189414(2)1019(18)3422(20)2824(33)2721(30)167515(6816)12291317(25)112629h58111314H3491012H212H3(H227283033)
MFCD02373967
ZINC000000649580
ZINC000000649581
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