Vitas-M small molecule compound
(2E)-4-{[1-(4-fluorobenzyl)-1H-1,2,4-triazol-3-yl]amino}-4-oxobut-2-enoic acid
Catalog ID
STK472391
SMILES O=C(Nc1ncn(n1)Cc1ccc(cc1)F)/C=C/C(=O)O
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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 C13H11FN4O3 MW 290.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11FN4O3/c14-10-3-1-9(2-4-10)7-18-8-15-13(17-18)16-11(19)5-6-12(20)21/h1-6,8H,7H2,(H,20,21)(H,16,17,19)/b6-5+InChIKey
VUWQUGKWQCFTBC-AATRIKPKSA-NSynonyms
(2E)3(N(1((4FLUOROPHENYL)METHYL)(124TRIAZOL3YL))CARBAMOYL)PROP2ENOICACID
(2E)4((1(4fluorobenzyl)1H124triazol3yl)amino)4oxobut2enoicacid
(E)4((1((4fluorophenyl)methyl)124triazol3yl)amino)4oxobut2enoicacid
C1=CC(=CC=C1CN2C=NC(=N2)NC(=O)C=CC(=O)O)F
InChI=1SC13H11FN4O3c1410319(2410)71881513(1718)1611(19)5612(20)21h168H7H2(H2021)(H161719)b65+
MFCD06066731
O=C(Nc1ncn(n1)Cc1ccc(cc1)F)C=CC(=O)O
ZINC000017022335
ZINC17022335
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