Vitas-M small molecule compound
N-benzyl-1-{[(Z)-(4-fluorophenyl)methylidene]amino}-5-[2-(4-methoxyphenyl)-2-oxoethoxy]-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL437166
SMILES COc1ccc(cc1)C(=O)COc1n(/N=C\c2ccc(cc2)F)nnc1C(=O)NCc1ccccc1
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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 C26H22FN5O4 MW 487.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22FN5O4/c1-35-22-13-9-20(10-14-22)23(33)17-36-26-24(25(34)28-15-18-5-3-2-4-6-18)30-31-32(26)29-16-19-7-11-21(27)12-8-19/h2-14,16H,15,17H2,1H3,(H,28,34)/b29-16-InChIKey
YSJNWKJZQAYBIA-MWLSYYOVSA-NSynonyms
COC1=CC=C(C=C1)C(=O)COC2=C(N=NN2N=CC3=CC=C(C=C3)F)C(=O)NCC4=CC=CC=C4
COc1ccc(cc1)C(=O)COc1n(N=Cc2ccc(cc2)F)nnc1C(=O)NCc1ccccc1
InChI=1SC26H22FN5O4c1352213920(101422)23(33)17362624(25(34)2815185324618)303132(26)29161971121(27)12819h21416H1517H21H3(H2834)b2916
MFCD06242802
Nbenzyl1(((Z)(4fluorophenyl)methylidene)amino)5(2(4methoxyphenyl)2oxoethoxy)1H123triazole4carboxamide
NBENZYL1((Z)(4FLUOROPHENYL)METHYLIDENEAMINO)5(2(4METHOXYPHENYL)2OXOETHOXY)TRIAZOLE4CARBOXAMIDE
ZINC000033337978
ZINC1417773
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