Vitas-M small molecule compound
N-{1-[4-ethyl-5-({1-[(4-methoxyphenyl)amino]-1-oxopropan-2-yl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-2-fluorobenzamide
Catalog ID
STK246146
SMILES COc1ccc(cc1)NC(=O)C(Sc1nnc(n1CC)C(NC(=O)c1ccccc1F)C)C
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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 C23H26FN5O3S MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26FN5O3S/c1-5-29-20(14(2)25-22(31)18-8-6-7-9-19(18)24)27-28-23(29)33-15(3)21(30)26-16-10-12-17(32-4)13-11-16/h6-15H,5H2,1-4H3,(H,25,31)(H,26,30)InChIKey
ABWNENNNKBZXAD-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)OC)C(C)NC(=O)C3=CC=CC=C3F
InChI=1SC23H26FN5O3Sc152920(14(2)2522(31)18867919(18)24)272823(29)3315(3)21(30)2616101217(324)131116h615H5H214H3(H2531)(H2630)
MFCD08683789
N(1(4ethyl5((1((4methoxyphenyl)amino)1oxopropan2yl)sulfanyl)4H124triazol3yl)ethyl)2fluorobenzamide
N(1(4ethyl5(1(4methoxyanilino)1oxopropan2yl)sulfanyl124triazol3yl)ethyl)2fluorobenzamide
N(1(4ETHYL5(1(4METHOXYPHENYLCARBAMOYL)ETHYLSULFANYL)4H(124)TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
ZINC000009328888
ZINC000009328895
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