Vitas-M small molecule compound

ethyl (2E)-3-[5-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]but-2-enoate

Catalog ID
STL200412
SMILES CCOC(=O)/C=C(/N1N=C(CC1c1cc(Cl)ccc1O)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 C19H19ClN2O3S MW 390.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClN2O3S/c1-3-25-19(24)9-12(2)22-16(14-10-13(20)6-7-17(14)23)11-15(21-22)18-5-4-8-26-18/h4-10,16,23H,3,11H2,1-2H3/b12-9+
InChIKey
KQYNFYDFHXGVSU-FMIVXFBMSA-N
Synonyms

CCOC(=O)C=C(C)N1C(CC(=N1)C2=CC=CS2)C3=C(C=CC(=C3)Cl)O
CCOC(=O)C=C(N1N=C(CC1c1cc(Cl)ccc1O)c1cccs1)C
ethyl(2E)3(5(5chloro2hydroxyphenyl)3(thiophen2yl)45dihydro1Hpyrazol1yl)but2enoate
ethyl(E)3(3(5chloro2hydroxyphenyl)5thiophen2yl34dihydropyrazol2yl)but2enoate
InChI=1SC19H19ClN2O3Sc132519(24)912(2)2216(141013(20)6717(14)23)1115(2122)185482618h4101623H311H212H3b129+
MFCD24858196
ZINC000080325238
ZINC000080325241

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Available files

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