Vitas-M small molecule compound
(4Z)-4-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidene}-2-(5-chloro-2-nitrophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK728428
SMILES Clc1ccc(c(c1)N1N=C(/C(=C/c2ccc(o2)c2cccc(c2C)Cl)/C1=O)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 C22H15Cl2N3O4 MW 456.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15Cl2N3O4/c1-12-16(4-3-5-18(12)24)21-9-7-15(31-21)11-17-13(2)25-26(22(17)28)20-10-14(23)6-8-19(20)27(29)30/h3-11H,1-2H3/b17-11-InChIKey
SBKXEJAKISCTBF-BOPFTXTBSA-NSynonyms
(4Z)4((5(3chloro2methylphenyl)furan2yl)methylidene)2(5chloro2nitrophenyl)5methyl24dihydro3Hpyrazol3one
(4Z)4((5(3CHLORO2METHYLPHENYL)FURAN2YL)METHYLIDENE)2(5CHLORO2NITROPHENYL)5METHYLPYRAZOL3ONE
CC1=C(C=CC=C1Cl)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=C(C=CC(=C4)Cl)(N+)(=O)(O))C
Clc1ccc(c(c1)N1N=C(C(=Cc2ccc(o2)c2cccc(c2C)Cl)C1=O)C)(N+)(=O)(O)
InChI=1SC22H15Cl2N3O4c11216(43518(12)24)219715(3121)111713(2)2526(22(17)28)201014(23)6819(20)27(29)30h311H12H3b1711
MFCD03035971
ZINC000008846307
ZINC08846307
ZINC8846307
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