Vitas-M small molecule compound
5-amino-1-{2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}-N-(4-fluorobenzyl)-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL081811
SMILES O=C(Nc1cccc(c1C)C)Cn1nnc(c1N)C(=O)NCc1ccc(cc1)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 C20H21FN6O2 MW 396.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21FN6O2/c1-12-4-3-5-16(13(12)2)24-17(28)11-27-19(22)18(25-26-27)20(29)23-10-14-6-8-15(21)9-7-14/h3-9H,10-11,22H2,1-2H3,(H,23,29)(H,24,28)InChIKey
VIRWYJBRMPRRDR-UHFFFAOYSA-NSynonyms
5amino1(2((23dimethylphenyl)amino)2oxoethyl)N(4fluorobenzyl)1H123triazole4carboxamide
5amino1(2(23dimethylanilino)2oxoethyl)N((4fluorophenyl)methyl)triazole4carboxamide
CC1=C(C(=CC=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=C(C=C3)F)N)C
InChI=1SC20H21FN6O2c11243516(13(12)2)2417(28)112719(22)18(252627)20(29)2310146815(21)9714h39H101122H212H3(H2329)(H2428)
MFCD14928049
ZINC000006999603
ZINC06999603
ZINC6999603
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