Vitas-M small molecule compound
4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]benzamide
Catalog ID
STK317621
SMILES S=C(Nc1c(C)cc(cc1[N+](=O)[O-])C)NC(=O)c1ccc(cc1)Cn1ncc(c1)Br
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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 C20H18BrN5O3S MW 488.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN5O3S/c1-12-7-13(2)18(17(8-12)26(28)29)23-20(30)24-19(27)15-5-3-14(4-6-15)10-25-11-16(21)9-22-25/h3-9,11H,10H2,1-2H3,(H2,23,24,27,30)InChIKey
FTAGPTBDIRNXQI-UHFFFAOYSA-NSynonyms
496834-36-74((4bromo1Hpyrazol1yl)methyl)N((24dimethyl6nitrophenyl)carbamothioyl)benzamide
4((4BROMOPYRAZOL1YL)METHYL)N((24DIMETHYL6NITROPHENYL)CARBAMOTHIOYL)BENZAMIDE
496834367
CC1=CC(=C(C(=C1)(N+)(=O)(O))NC(=S)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br)C
InChI=1SC20H18BrN5O3Sc112713(2)18(17(812)26(28)29)2320(30)2419(27)155314(4615)10251116(21)92225h3911H10H212H3(H223242730)
MFCD02373999
S=C(Nc1c(C)cc(cc1(N+)(=O)(O))C)NC(=O)c1ccc(cc1)Cn1ncc(c1)Br
ZINC000012650020
ZINC12650020
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