Vitas-M small molecule compound

4-bromo-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide

Catalog ID
STK968388
SMILES N#Cc1c(NC(=S)NC(=O)c2n(C)nc(c2Br)C)sc2c1CCCCC2

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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 C17H18BrN5OS2 MW 452.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18BrN5OS2/c1-9-13(18)14(23(2)22-9)15(24)20-17(25)21-16-11(8-19)10-6-4-3-5-7-12(10)26-16/h3-7H2,1-2H3,(H2,20,21,24,25)
InChIKey
DHRHHMZAGYSXAF-UHFFFAOYSA-N
Synonyms
494217-94-6
494217946
4bromoN((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamothioyl)13dimethyl1Hpyrazole5carboxamide
4bromoN((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamothioyl)25dimethylpyrazole3carboxamide
CC1=NN(C(=C1Br)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C#N)C
InChI=1SC17H18BrN5OS2c1913(18)14(23(2)229)15(24)2017(25)211611(819)106435712(10)2616h37H212H3(H220212425)
MFCD02608985
ZINC000002797331
ZINC02797331
ZINC2797331

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Available files

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