Vitas-M small molecule compound
4-bromo-N-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1-methyl-1H-pyrazole-5-carboxamide
Catalog ID
STK958182
SMILES S=C(NC(=O)c1c(Br)cnn1C)Nc1sc2c(c1C(=O)N)CCC(C2)C
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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 C16H18BrN5O2S2 MW 456.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18BrN5O2S2/c1-7-3-4-8-10(5-7)26-15(11(8)13(18)23)21-16(25)20-14(24)12-9(17)6-19-22(12)2/h6-7H,3-5H2,1-2H3,(H2,18,23)(H2,20,21,24,25)InChIKey
BSAACMIQWROWGX-UHFFFAOYSA-NSynonyms
957486-89-44bromoN((3carbamoyl6methyl4567tetrahydro1benzothiophen2yl)carbamothioyl)1methyl1Hpyrazole5carboxamide
4bromoN((3carbamoyl6methyl4567tetrahydro1benzothiophen2yl)carbamothioyl)2methylpyrazole3carboxamide
957486894
CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=C(C=NN3C)Br
InChI=1SC16H18BrN5O2S2c1734810(57)2615(11(8)13(18)23)2116(25)2014(24)129(17)61922(12)2h67H35H212H3(H21823)(H220212425)
MFCD01605077
ZINC000002747121
ZINC000002747122
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