Vitas-M small molecule compound
5-(4-butoxyphenyl)-N-(2-chloro-4-fluorobenzyl)-1H-pyrazole-4-carboxamide
Catalog ID
STL184593
SMILES CCCCOc1ccc(cc1)c1[nH]ncc1C(=O)NCc1ccc(cc1Cl)F
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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 C21H21ClFN3O2 MW 401.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClFN3O2/c1-2-3-10-28-17-8-5-14(6-9-17)20-18(13-25-26-20)21(27)24-12-15-4-7-16(23)11-19(15)22/h4-9,11,13H,2-3,10,12H2,1H3,(H,24,27)(H,25,26)InChIKey
ACVFRDLQGWPVIQ-UHFFFAOYSA-NSynonyms
5(4butoxyphenyl)N((2chloro4fluorophenyl)methyl)1Hpyrazole4carboxamide
5(4butoxyphenyl)N(2chloro4fluorobenzyl)1Hpyrazole4carboxamide
CCCCOC1=CC=C(C=C1)C2=C(C=NN2)C(=O)NCC3=C(C=C(C=C3)F)Cl
CCCCOc1ccc(cc1)c1(nH)ncc1C(=O)NCc1ccc(cc1Cl)F
InChI=1SC21H21ClFN3O2c1231028178514(6917)2018(13252620)21(27)2412154716(23)1119(15)22h491113H231012H21H3(H2427)(H2526)
MFCD22386735
ZINC000072328996
ZINC72328996
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