Vitas-M small molecule compound

ethyl 2-({[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STK315507
SMILES CCOC(=O)c1c(NC(=O)Cn2nc(cc2C)C(F)(F)F)sc2c1CCCCC2

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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 C19H22F3N3O3S MW 429.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22F3N3O3S/c1-3-28-18(27)16-12-7-5-4-6-8-13(12)29-17(16)23-15(26)10-25-11(2)9-14(24-25)19(20,21)22/h9H,3-8,10H2,1-2H3,(H,23,26)
InChIKey
ZOWXXPQURYLOHX-UHFFFAOYSA-N
Synonyms
489406-72-6
489406726
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CN3C(=CC(=N3)C(F)(F)F)C
ethyl2(((5methyl3(trifluoromethyl)1Hpyrazol1yl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((2(5methyl3(trifluoromethyl)pyrazol1yl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC19H22F3N3O3Sc132818(27)16127546813(12)2917(16)2315(26)102511(2)914(2425)19(2021)22h9H3810H212H3(H2326)
MFCD01450841
ZINC000002082130
ZINC02082130
ZINC2082130

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Available files

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