Vitas-M small molecule compound
5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL094356
SMILES COc1cc(CCNC(=O)c2nnn(c2N)CC(=O)Nc2ccccc2F)ccc1OC
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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 C21H23FN6O4 MW 442.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23FN6O4/c1-31-16-8-7-13(11-17(16)32-2)9-10-24-21(30)19-20(23)28(27-26-19)12-18(29)25-15-6-4-3-5-14(15)22/h3-8,11H,9-10,12,23H2,1-2H3,(H,24,30)(H,25,29)InChIKey
ONJJBYQOGQZIHP-UHFFFAOYSA-NSynonyms
1291834-06-41291834064
5aminoN(2(34dimethoxyphenyl)ethyl)1(2((2fluorophenyl)amino)2oxoethyl)1H123triazole4carboxamide
5aminoN(2(34dimethoxyphenyl)ethyl)1(2(2fluoroanilino)2oxoethyl)triazole4carboxamide
COC1=C(C=C(C=C1)CCNC(=O)C2=C(N(N=N2)CC(=O)NC3=CC=CC=C3F)N)OC
InChI=1SC21H23FN6O4c131168713(1117(16)322)9102421(30)1920(23)28(272619)1218(29)2515643514(15)22h3811H9101223H212H3(H2430)(H2529)
MFCD18788125
ZINC000067240312
ZINC67240312
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