Vitas-M small molecule compound

(4Z)-2-(4-ethylphenyl)-5-methyl-4-[(5-methylthiophen-2-yl)methylidene]-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STL381991
SMILES CCc1ccc(cc1)N1N=C(/C(=C/c2ccc(s2)C)/C1=O)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 C18H18N2OS MW 310.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2OS/c1-4-14-6-8-15(9-7-14)20-18(21)17(13(3)19-20)11-16-10-5-12(2)22-16/h5-11H,4H2,1-3H3/b17-11-
InChIKey
NXXXRIMFFNVPRD-BOPFTXTBSA-N
Synonyms

(4Z)2(4ethylphenyl)5methyl4((5methylthiophen2yl)methylidene)24dihydro3Hpyrazol3one
(4Z)2(4ETHYLPHENYL)5METHYL4((5METHYLTHIOPHEN2YL)METHYLIDENE)PYRAZOL3ONE
2(4ETHYLPHENYL)5METHYL4((5METHYL2THIENYL)METHYLENE)24DIHYDRO3HPYRAZOL3ONE
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(S3)C)C(=N2)C
CCc1ccc(cc1)N1N=C(C(=Cc2ccc(s2)C)C1=O)C
InChI=1SC18H18N2OSc14146815(9714)2018(21)17(13(3)1920)111610512(2)2216h511H4H213H3b1711
MFCD03079351
ZINC000000356539
ZINC00356539
ZINC356539

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Available files

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