Vitas-M small molecule compound
(4Z)-2-(4-bromophenyl)-4-(4-butoxy-3-iodo-5-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL174115
SMILES CCCCOc1c(I)cc(cc1OC)/C=C\1/C(=NN(C1=O)c1ccc(cc1)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 C22H22BrIN2O3 MW 569.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrIN2O3/c1-4-5-10-29-21-19(24)12-15(13-20(21)28-3)11-18-14(2)25-26(22(18)27)17-8-6-16(23)7-9-17/h6-9,11-13H,4-5,10H2,1-3H3/b18-11-InChIKey
UTGIPACBWVDEIP-WQRHYEAKSA-NSynonyms
445286-31-7(4Z)2(4bromophenyl)4((4butoxy3iodo5methoxyphenyl)methylidene)5methylpyrazol3one
(4Z)2(4bromophenyl)4(4butoxy3iodo5methoxybenzylidene)5methyl24dihydro3Hpyrazol3one
2(4BROMOPHENYL)4(4BUTOXY3IODO5METHOXYBENZYLIDENE)5METHYL24DIHYDRO3HPYRAZOL3ONE
445286317
CCCCOC1=C(C=C(C=C1I)C=C2C(=NN(C2=O)C3=CC=C(C=C3)Br)C)OC
CCCCOc1c(I)cc(cc1OC)C=C1C(=NN(C1=O)c1ccc(cc1)Br)C
InChI=1SC22H22BrIN2O3c14510292119(24)1215(1320(21)283)111814(2)2526(22(18)27)178616(23)7917h691113H4510H213H3b1811
MFCD02371910
ZINC000008444256
ZINC08444256
ZINC8444256
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