Vitas-M small molecule compound
methyl 3-({[5-(4-bromophenyl)-1H-pyrazol-3-yl]carbonyl}amino)-4,5-diethoxybenzoate
Catalog ID
STK901032
SMILES CCOc1c(cc(cc1OCC)C(=O)OC)NC(=O)c1n[nH]c(c1)c1ccc(cc1)Br
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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 C22H22BrN3O5 MW 488.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrN3O5/c1-4-30-19-11-14(22(28)29-3)10-17(20(19)31-5-2)24-21(27)18-12-16(25-26-18)13-6-8-15(23)9-7-13/h6-12H,4-5H2,1-3H3,(H,24,27)(H,25,26)InChIKey
BCUQQHVKAYRPGW-UHFFFAOYSA-NSynonyms
CCOC1=CC(=CC(=C1OCC)NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br)C(=O)OC
CCOc1c(cc(cc1OCC)C(=O)OC)NC(=O)c1n(nH)c(c1)c1ccc(cc1)Br
InChI=1SC22H22BrN3O5c1430191114(22(28)293)1017(20(19)3152)2421(27)181216(252618)136815(23)9713h612H45H213H3(H2427)(H2526)
methyl3(((5(4bromophenyl)1Hpyrazol3yl)carbonyl)amino)45diethoxybenzoate
methyl3((3(4bromophenyl)1Hpyrazole5carbonyl)amino)45diethoxybenzoate
MFCD18173827
ZINC000044837380
ZINC44837380
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