Vitas-M small molecule compound
3-{(4Z)-4-[2-bromo-5-methoxy-4-(propan-2-yloxy)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}propanenitrile
Catalog ID
STK967834
SMILES N#CCCN1N=C(/C(=C/c2cc(OC)c(cc2Br)OC(C)C)/C1=O)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 C18H20BrN3O3 MW 406.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20BrN3O3/c1-11(2)25-17-10-15(19)13(9-16(17)24-4)8-14-12(3)21-22(18(14)23)7-5-6-20/h8-11H,5,7H2,1-4H3/b14-8-InChIKey
DLBCMGFGAQFGBD-ZSOIEALJSA-NSynonyms
3((4Z)4((2bromo5methoxy4propan2yloxyphenyl)methylidene)3methyl5oxopyrazol1yl)propanenitrile
3((4Z)4(2bromo5methoxy4(propan2yloxy)benzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)propanenitrile
3(4(2BROMO4ISOPROPOXY5METHOXYBENZYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)PROPANENITRILE
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2Br)OC(C)C)OC)CCC#N
InChI=1SC18H20BrN3O3c111(2)25171015(19)13(916(17)244)81412(3)2122(18(14)23)75620h811H57H214H3b148
MFCD02605693
N#CCCN1N=C(C(=Cc2cc(OC)c(cc2Br)OC(C)C)C1=O)C
ZINC000004614447
ZINC04614447
ZINC4614447
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