Vitas-M small molecule compound
4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide
Catalog ID
STK301371
SMILES N#Cc1c(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 C21H18BrN5OS2 MW 500.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN5OS2/c22-15-10-24-27(12-15)11-13-5-7-14(8-6-13)19(28)25-21(29)26-20-17(9-23)16-3-1-2-4-18(16)30-20/h5-8,10,12H,1-4,11H2,(H2,25,26,28,29)InChIKey
ALQCFXOAGNPBTF-UHFFFAOYSA-NSynonyms
492425-82-84((4bromo1Hpyrazol1yl)methyl)N((3cyano4567tetrahydro1benzothiophen2yl)carbamothioyl)benzamide
4((4bromopyrazol1yl)methyl)N((3cyano4567tetrahydro1benzothiophen2yl)carbamothioyl)benzamide
492425828
C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br)C#N
InChI=1SC21H18BrN5OS2c2215102427(1215)11135714(8613)19(28)2521(29)262017(923)16312418(16)3020h581012H1411H2(H225262829)
MFCD02605219
ZINC000000648014
ZINC00648014
ZINC648014
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