Vitas-M small molecule compound
6-{[1-(4-bromobenzyl)-1H-pyrazol-3-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STL396257
SMILES O=C(C1CC=CCC1C(=O)O)Nc1ccn(n1)Cc1ccc(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 C18H18BrN3O3 MW 404.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrN3O3/c19-13-7-5-12(6-8-13)11-22-10-9-16(21-22)20-17(23)14-3-1-2-4-15(14)18(24)25/h1-2,5-10,14-15H,3-4,11H2,(H,24,25)(H,20,21,23)InChIKey
GVEFGKUEHIHUSF-UHFFFAOYSA-NSynonyms
1005689-85-91005689859
6((1((4bromophenyl)methyl)pyrazol3yl)carbamoyl)cyclohex3ene1carboxylicacid
6((1(4BROMOBENZYL)1HPYRAZOL3YL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
C1C=CCC(C1C(=O)NC2=NN(C=C2)CC3=CC=C(C=C3)Br)C(=O)O
InChI=1SC18H18BrN3O3c19137512(6813)112210916(2122)2017(23)14312415(14)18(24)25h125101415H3411H2(H2425)(H202123)
MFCD06196766
ZINC000017082802
ZINC000017082805
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