Vitas-M small molecule compound
ethyl 2-{[({4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK317699
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(cc2)Cn2ncc(c2)Br)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 C24H25BrN4O3S2 MW 561.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25BrN4O3S2/c1-2-32-23(31)20-18-6-4-3-5-7-19(18)34-22(20)28-24(33)27-21(30)16-10-8-15(9-11-16)13-29-14-17(25)12-26-29/h8-12,14H,2-7,13H2,1H3,(H2,27,28,30,33)InChIKey
HXTFXPKODBVBHW-UHFFFAOYSA-NSynonyms
494217-87-7494217877
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br
ethyl2((((4((4bromo1Hpyrazol1yl)methyl)phenyl)carbonyl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((4((4bromopyrazol1yl)methyl)benzoyl)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC24H25BrN4O3S2c123223(31)20186435719(18)3422(20)2824(33)2721(30)1610815(91116)13291417(25)122629h81214H2713H21H3(H227283033)
MFCD02608745
ZINC000002108588
ZINC02108588
ZINC2108588
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