Vitas-M small molecule compound
methyl 2-{[({4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL402169
SMILES COC(=O)c1c(NC(=S)NC(=O)c2ccc(cc2)Cn2ncc(c2)Br)sc2c1CCCC2
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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 C22H21BrN4O3S2 MW 533.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN4O3S2/c1-30-21(29)18-16-4-2-3-5-17(16)32-20(18)26-22(31)25-19(28)14-8-6-13(7-9-14)11-27-12-15(23)10-24-27/h6-10,12H,2-5,11H2,1H3,(H2,25,26,28,31)InChIKey
SAXQSQUTDBDLFS-UHFFFAOYSA-NSynonyms
494218-92-7494218927
COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br
InChI=1SC22H21BrN4O3S2c13021(29)1816423517(16)3220(18)2622(31)2519(28)148613(7914)11271215(23)102427h61012H2511H21H3(H225262831)
methyl2((((4((4bromo1Hpyrazol1yl)methyl)phenyl)carbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((4((4bromopyrazol1yl)methyl)benzoyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD02374426
ZINC000008454600
ZINC08454600
ZINC8454600
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