Vitas-M small molecule compound
N-{1-[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-2-fluorobenzamide
Catalog ID
STK186659
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2C)C)nnc1C(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 C24H26FN5O2S MW 467.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26FN5O2S/c1-5-13-30-22(17(4)26-23(32)18-10-6-7-11-19(18)25)28-29-24(30)33-14-21(31)27-20-12-8-9-15(2)16(20)3/h5-12,17H,1,13-14H2,2-4H3,(H,26,32)(H,27,31)InChIKey
ZJTIRXANHJRDBH-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C(C)NC(=O)C3=CC=CC=C3F)C
InChI=1SC24H26FN5O2Sc15133022(17(4)2623(32)1810671119(18)25)282924(30)331421(31)2720128915(2)16(20)3h51217H11314H224H3(H2632)(H2731)
MFCD06006497
N(1(5((2((23DIMETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(1(5(2(23DIMETHYLANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
ZINC000001062460
ZINC000001062461
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