Vitas-M small molecule compound
(4Z)-4-{[(5-chloro-2-methoxy-4-nitrophenyl)amino]methylidene}-2-(4-iodophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK762256
SMILES COc1cc([N+](=O)[O-])c(cc1N/C=C\1/C(=NN(C1=O)c1ccc(cc1)I)C)Cl
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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 C18H14ClIN4O4 MW 512.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14ClIN4O4/c1-10-13(18(25)23(22-10)12-5-3-11(20)4-6-12)9-21-15-7-14(19)16(24(26)27)8-17(15)28-2/h3-9,21H,1-2H3/b13-9-InChIKey
FHLSWOMIBJIUSO-LCYFTJDESA-NSynonyms
(4Z)4(((5chloro2methoxy4nitrophenyl)amino)methylidene)2(4iodophenyl)5methyl24dihydro3Hpyrazol3one
(4Z)4((5CHLORO2METHOXY4NITROANILINO)METHYLIDENE)2(4IODOPHENYL)5METHYLPYRAZOL3ONE
CC1=NN(C(=O)C1=CNC2=CC(=C(C=C2OC)(N+)(=O)(O))Cl)C3=CC=C(C=C3)I
COc1cc((N+)(=O)(O))c(cc1NC=C1C(=NN(C1=O)c1ccc(cc1)I)C)Cl
InChI=1SC18H14ClIN4O4c11013(18(25)23(2210)125311(20)4612)92115714(19)16(24(26)27)817(15)282h3921H12H3b139
MFCD01178601
ZINC000008989979
ZINC08989979
ZINC8989979
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