Vitas-M small molecule compound
propyl 5-({(E)-[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-2-chlorobenzoate
Catalog ID
STL295404
SMILES CCCOC(=O)c1cc(N/C=C/2\C(=NN(C2=O)c2ccc(cc2)Br)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 C21H19BrClN3O3 MW 476.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrClN3O3/c1-3-10-29-21(28)17-11-15(6-9-19(17)23)24-12-18-13(2)25-26(20(18)27)16-7-4-14(22)5-8-16/h4-9,11-12,24H,3,10H2,1-2H3/b18-12+InChIKey
VBSOTPPRBXPGGA-LDADJPATSA-NSynonyms
CCCOC(=O)C1=C(C=CC(=C1)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)Br)C)Cl
CCCOC(=O)c1cc(NC=C2C(=NN(C2=O)c2ccc(cc2)Br)C)ccc1Cl
InChI=1SC21H19BrClN3O3c13102921(28)171115(6919(17)23)24121813(2)2526(20(18)27)167414(22)5816h49111224H310H212H3b1812+
MFCD28032971
propyl5(((E)(1(4bromophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)2chlorobenzoate
PROPYL5(((E)(1(4BROMOPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)AMINO)2CHLOROBENZOATE
ZINC000101114055
ZINC08429957
ZINC101114055
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