Vitas-M small molecule compound
ethyl 4-{[({4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)carbamothioyl]amino}benzoate
Catalog ID
STK317623
SMILES CCOC(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccc(cc1)Cn1ncc(c1)Br
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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 C21H19BrN4O3S MW 487.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN4O3S/c1-2-29-20(28)16-7-9-18(10-8-16)24-21(30)25-19(27)15-5-3-14(4-6-15)12-26-13-17(22)11-23-26/h3-11,13H,2,12H2,1H3,(H2,24,25,27,30)InChIKey
HMACXKWNKLLJOT-UHFFFAOYSA-NSynonyms
494218-41-6494218416
CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br
ethyl4((((4((4bromo1Hpyrazol1yl)methyl)phenyl)carbonyl)carbamothioyl)amino)benzoate
ETHYL4((4((4BROMOPYRAZOL1YL)METHYL)BENZOYL)CARBAMOTHIOYLAMINO)BENZOATE
InChI=1SC21H19BrN4O3Sc122920(28)167918(10816)2421(30)2519(27)155314(4615)12261317(22)112326h31113H212H21H3(H224252730)
MFCD02374020
ZINC000000649594
ZINC00649594
ZINC649594
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