Vitas-M small molecule compound
N-{1-[5-({1-[(2,5-dimethylphenyl)amino]-1-oxobutan-2-yl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}-2-fluorobenzamide
Catalog ID
STK278737
SMILES CCC(C(=O)Nc1cc(C)ccc1C)Sc1nnc(n1CC)C(NC(=O)c1ccccc1F)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 C25H30FN5O2S MW 483.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30FN5O2S/c1-6-21(24(33)28-20-14-15(3)12-13-16(20)4)34-25-30-29-22(31(25)7-2)17(5)27-23(32)18-10-8-9-11-19(18)26/h8-14,17,21H,6-7H2,1-5H3,(H,27,32)(H,28,33)InChIKey
POKKNEXKEXQNHU-UHFFFAOYSA-NSynonyms
CCC(C(=O)NC1=C(C=CC(=C1)C)C)SC2=NN=C(N2CC)C(C)NC(=O)C3=CC=CC=C3F
InChI=1SC25H30FN5O2Sc1621(24(33)28201415(3)121316(20)4)3425302922(31(25)72)17(5)2723(32)1810891119(18)26h8141721H67H215H3(H2732)(H2833)
MFCD09269511
N(1(5((1((25dimethylphenyl)amino)1oxobutan2yl)sulfanyl)4ethyl4H124triazol3yl)ethyl)2fluorobenzamide
N(1(5(1(25dimethylanilino)1oxobutan2yl)sulfanyl4ethyl124triazol3yl)ethyl)2fluorobenzamide
N(1(5(1(25DIMETHYLPHENYLCARBAMOYL)PROPYLSULFANYL)4ETHYL4H(124)TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
ZINC000009095868
ZINC000009095871
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