Vitas-M small molecule compound

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

Catalog ID
STK837779
SMILES CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)Cl)C(F)(F)F)sc2c1CCCC2

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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 C18H19ClF3N3O3S MW 449.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClF3N3O3S/c1-3-28-17(27)13-10-6-4-5-7-11(10)29-16(13)23-12(26)8-25-9(2)14(19)15(24-25)18(20,21)22/h3-8H2,1-2H3,(H,23,26)
InChIKey
KVOFFYPBKPSHIR-UHFFFAOYSA-N
Synonyms
351987-79-6
351987796
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C(=C(C(=N3)C(F)(F)F)Cl)C
ethyl2(((4chloro5methyl3(trifluoromethyl)1Hpyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(4chloro5methyl3(trifluoromethyl)pyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2(4chloro5methyl3(trifluoromethyl)1Hpyrazol1yl)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC18H19ClF3N3O3Sc132817(27)1310645711(10)2916(13)2312(26)8259(2)14(19)15(2425)18(2021)22h38H212H3(H2326)
MFCD01528696
ZINC000000659329
ZINC00659329
ZINC659329

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Available files

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