Vitas-M small molecule compound
(2E)-2-{[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-N-(1,1-dioxidotetrahydrothiophen-3-yl)hydrazinecarbothioamide
Catalog ID
STK821585
SMILES S=C(NC1CCS(=O)(=O)C1)N/N=C/c1cn(nc1c1ccc(cc1)Br)c1ccccc1
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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 C21H20BrN5O2S2 MW 518.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN5O2S2/c22-17-8-6-15(7-9-17)20-16(13-27(26-20)19-4-2-1-3-5-19)12-23-25-21(30)24-18-10-11-31(28,29)14-18/h1-9,12-13,18H,10-11,14H2,(H2,24,25,30)/b23-12+InChIKey
JKTNQNIHCRETMT-FSJBWODESA-NSynonyms
(2E)2((3(4bromophenyl)1phenyl1Hpyrazol4yl)methylidene)N(11dioxidotetrahydrothiophen3yl)hydrazinecarbothioamide
1((E)(3(4bromophenyl)1phenylpyrazol4yl)methylideneamino)3(11dioxothiolan3yl)thiourea
C1CS(=O)(=O)CC1NC(=S)NN=CC2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4
InChI=1SC21H20BrN5O2S2c22178615(7917)2016(1327(2620)194213519)12232521(30)2418101131(2829)1418h19121318H101114H2(H2242530)b2312+
MFCD03462890
S=C(NC1CCS(=O)(=O)C1)NN=Cc1cn(nc1c1ccc(cc1)Br)c1ccccc1
ZINC000026965066
ZINC000026965070
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