Vitas-M small molecule compound
N-{1-[5-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-fluorobenzamide
Catalog ID
STK116004
SMILES O=C(Nc1ccc(c(c1)Cl)C)CSc1nnc(n1C)C(C(C)C)NC(=O)c1ccc(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 C23H25ClFN5O2S MW 490.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClFN5O2S/c1-13(2)20(27-22(32)15-6-8-16(25)9-7-15)21-28-29-23(30(21)4)33-12-19(31)26-17-10-5-14(3)18(24)11-17/h5-11,13,20H,12H2,1-4H3,(H,26,31)(H,27,32)InChIKey
YNFIGJWHGILKAF-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)C(C(C)C)NC(=O)C3=CC=C(C=C3)F)Cl
InChI=1SC23H25ClFN5O2Sc113(2)20(2722(32)156816(25)9715)21282923(30(21)4)331219(31)261710514(3)18(24)1117h5111320H12H214H3(H2631)(H2732)
MFCD04127806
N(1(5((2((3CHLORO4METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)2METHYLPROPYL)4FLUOROBENZAMIDE
N(1(5(2(3CHLORO4METHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)2METHYLPROPYL)4FLUOROBENZAMIDE
ZINC000001111651
ZINC000001111652
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