Vitas-M small molecule compound
4-cyano-N-{2-[4-(diethylamino)phenyl]-6-methyl-2H-benzotriazol-5-yl}-2-fluorobenzamide
Catalog ID
STK231673
SMILES CCN(c1ccc(cc1)n1nc2c(n1)cc(c(c2)C)NC(=O)c1ccc(cc1F)C#N)CC
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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 C25H23FN6O MW 442.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23FN6O/c1-4-31(5-2)18-7-9-19(10-8-18)32-29-23-12-16(3)22(14-24(23)30-32)28-25(33)20-11-6-17(15-27)13-21(20)26/h6-14H,4-5H2,1-3H3,(H,28,33)InChIKey
XWRWZEIJRQELRB-UHFFFAOYSA-NSynonyms
4cyanoN(2(4(diethylamino)phenyl)6methyl2Hbenzotriazol5yl)2fluorobenzamide
4CYANON(2(4(DIETHYLAMINO)PHENYL)6METHYLBENZOTRIAZOL5YL)2FLUOROBENZAMIDE
CCN(CC)C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=C(C=C(C=C4)C#N)F)C
InChI=1SC25H23FN6Oc1431(52)187919(10818)3229231216(3)22(1424(23)3032)2825(33)2011617(1527)1321(20)26h614H45H213H3(H2833)
MFCD06628027
ZINC000002880787
ZINC02880787
ZINC2880787
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