Vitas-M small molecule compound
butyl 2-chloro-5-({(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Catalog ID
STL295585
SMILES CCCCOC(=O)c1cc(N/C=C/2\C(=NN(C2=O)c2ccc(c(c2)C)C)C)ccc1Cl
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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 C24H26ClN3O3 MW 439.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26ClN3O3/c1-5-6-11-31-24(30)20-13-18(8-10-22(20)25)26-14-21-17(4)27-28(23(21)29)19-9-7-15(2)16(3)12-19/h7-10,12-14,26H,5-6,11H2,1-4H3/b21-14+InChIKey
CSGUIFFUIUTYRG-KGENOOAVSA-NSynonyms
butyl2chloro5(((E)(1(34dimethylphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)benzoate
BUTYL2CHLORO5(((E)(1(34DIMETHYLPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)AMINO)BENZOATE
CCCCOC(=O)C1=C(C=CC(=C1)NC=C2C(=NN(C2=O)C3=CC(=C(C=C3)C)C)C)Cl
CCCCOC(=O)c1cc(NC=C2C(=NN(C2=O)c2ccc(c(c2)C)C)C)ccc1Cl
InChI=1SC24H26ClN3O3c156113124(30)201318(81022(20)25)26142117(4)2728(23(21)29)199715(2)16(3)1219h710121426H5611H214H3b2114+
MFCD28033038
ZINC000101114215
ZINC08430282
ZINC101114215
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