Vitas-M small molecule compound
1-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-3-(2-methoxy-4-nitrophenyl)thiourea
Catalog ID
STK456800
SMILES COc1cc(ccc1NC(=S)Nc1cccc(c1)Cn1nc(c(c1C)Br)C)[N+](=O)[O-]
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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 C20H20BrN5O3S MW 490.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN5O3S/c1-12-19(21)13(2)25(24-12)11-14-5-4-6-15(9-14)22-20(30)23-17-8-7-16(26(27)28)10-18(17)29-3/h4-10H,11H2,1-3H3,(H2,22,23,30)InChIKey
PQBMKRGSLGNKLQ-UHFFFAOYSA-NSynonyms
((3((4BROMO35DIMETHYLPYRAZOLYL)METHYL)PHENYL)AMINO)((2METHOXY4NITROPHENYL)AMINO)METHANE1THIONE
1(3((4bromo35dimethyl1Hpyrazol1yl)methyl)phenyl)3(2methoxy4nitrophenyl)thiourea
1(3((4BROMO35DIMETHYLPYRAZOL1YL)METHYL)PHENYL)3(2METHOXY4NITROPHENYL)THIOUREA
CC1=C(C(=NN1CC2=CC(=CC=C2)NC(=S)NC3=C(C=C(C=C3)(N+)(=O)(O))OC)C)Br
COc1cc(ccc1NC(=S)Nc1cccc(c1)Cn1nc(c(c1C)Br)C)(N+)(=O)(O)
InChI=1SC20H20BrN5O3Sc11219(21)13(2)25(2412)111454615(914)2220(30)23178716(26(27)28)1018(17)293h410H11H213H3(H2222330)
MFCD04137574
ZINC000016345834
ZINC16345834
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