Vitas-M small molecule compound

1-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-3-(3,4-dimethoxyphenyl)thiourea

Catalog ID
STK458350
SMILES COc1cc(ccc1OC)NC(=S)Nc1cccc(c1)Cn1nc(c(c1C)Br)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 C21H23BrN4O2S MW 475.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN4O2S/c1-13-20(22)14(2)26(25-13)12-15-6-5-7-16(10-15)23-21(29)24-17-8-9-18(27-3)19(11-17)28-4/h5-11H,12H2,1-4H3,(H2,23,24,29)
InChIKey
QKYFVJSILIQOIP-UHFFFAOYSA-N
Synonyms

((34DIMETHOXYPHENYL)AMINO)((3((4BROMO35DIMETHYLPYRAZOLYL)METHYL)PHENYL)AMINO)METHANE1THIONE
1(3((4bromo35dimethyl1Hpyrazol1yl)methyl)phenyl)3(34dimethoxyphenyl)thiourea
1(3((4BROMO35DIMETHYLPYRAZOL1YL)METHYL)PHENYL)3(34DIMETHOXYPHENYL)THIOUREA
CC1=C(C(=NN1CC2=CC(=CC=C2)NC(=S)NC3=CC(=C(C=C3)OC)OC)C)Br
InChI=1SC21H23BrN4O2Sc11320(22)14(2)26(2513)121565716(1015)2321(29)24178918(273)19(1117)284h511H12H214H3(H2232429)
MFCD04137470
ZINC000001119791
ZINC01119791
ZINC1119791

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Available files

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