Vitas-M small molecule compound
methyl 3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}propanoate
Catalog ID
STK761028
SMILES COC(=O)C(C(F)(F)F)(c1c(C)[nH]n(c1=O)c1ccccc1)SCC(=O)Nc1ccccc1
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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 C22H20F3N3O4S MW 479.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20F3N3O4S/c1-14-18(19(30)28(27-14)16-11-7-4-8-12-16)21(20(31)32-2,22(23,24)25)33-13-17(29)26-15-9-5-3-6-10-15/h3-12,27H,13H2,1-2H3,(H,26,29)InChIKey
SOFYRYOXIHPIQE-UHFFFAOYSA-NSynonyms
298687-29-3298687293
CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C(=O)OC)(C(F)(F)F)SCC(=O)NC3=CC=CC=C3
COC(=O)C(C(F)(F)F)(c1c(C)(nH)n(c1=O)c1ccccc1)SCC(=O)Nc1ccccc1
InChI=1SC22H20F3N3O4Sc11418(19(30)28(2714)16117481216)21(20(31)32222(2324)25)331317(29)261595361015h31227H13H212H3(H2629)
METHYL2(2ANILINO2OXOETHYL)SULFANYL333TRIFLUORO2(5METHYL3OXO2PHENYL1HPYRAZOL4YL)PROPANOATE
methyl333trifluoro2(5methyl3oxo2phenyl23dihydro1Hpyrazol4yl)2((2oxo2(phenylamino)ethyl)sulfanyl)propanoate
methyl333trifluoro2(5methyl3oxo2phenyl23dihydro1Hpyrazol4yl)2((2oxo2(phenylamino)ethyl)thio)propanoate
MFCD01820412
ZINC000002270422
ZINC000002270423
Check stock
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Check stock on Vitas-MAvailable files
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