Vitas-M small molecule compound
ethyl (2E)-3-[5-(4-bromophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]but-2-enoate
Catalog ID
STK838059
SMILES CCOC(=O)/C=C(/N1N=C(CC1c1ccc(cc1)Br)c1cccs1)\C
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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 C19H19BrN2O2S MW 419.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19BrN2O2S/c1-3-24-19(23)11-13(2)22-17(14-6-8-15(20)9-7-14)12-16(21-22)18-5-4-10-25-18/h4-11,17H,3,12H2,1-2H3/b13-11+InChIKey
JQBGFWVNAXPOHM-ACCUITESSA-NSynonyms
(E)ethyl3(5(4bromophenyl)3(thiophen2yl)45dihydro1Hpyrazol1yl)but2enoate
CCOC(=O)C=C(C)N1C(CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)Br
CCOC(=O)C=C(N1N=C(CC1c1ccc(cc1)Br)c1cccs1)C
ETHYL(2E)3(5(4BROMOPHENYL)3(2THIENYL)(2PYRAZOLINYL))BUT2ENOATE
ethyl(2E)3(5(4bromophenyl)3(thiophen2yl)45dihydro1Hpyrazol1yl)but2enoate
ETHYL(E)3(3(4BROMOPHENYL)5THIOPHEN2YL34DIHYDROPYRAZOL2YL)BUT2ENOATE
InChI=1SC19H19BrN2O2Sc132419(23)1113(2)2217(146815(20)9714)1216(2122)1854102518h41117H312H212H3b1311+
MFCD01050851
ZINC000009058336
ZINC000009438956
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