Vitas-M small molecule compound
2-chloro-N-{4-[4-methyl-5-({1-[(4-methylphenyl)amino]-1-oxobutan-2-yl}sulfanyl)-4H-1,2,4-triazol-3-yl]phenyl}benzamide
Catalog ID
STK130737
SMILES CCC(C(=O)Nc1ccc(cc1)C)Sc1nnc(n1C)c1ccc(cc1)NC(=O)c1ccccc1Cl
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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 C27H26ClN5O2S MW 520.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN5O2S/c1-4-23(26(35)30-19-13-9-17(2)10-14-19)36-27-32-31-24(33(27)3)18-11-15-20(16-12-18)29-25(34)21-7-5-6-8-22(21)28/h5-16,23H,4H2,1-3H3,(H,29,34)(H,30,35)InChIKey
YIEDWAFOIICLSA-UHFFFAOYSA-NSynonyms
2CHLORON(4(4METHYL5((1((4METHYLPHENYL)AMINO)1OXOBUTAN2YL)SULFANYL)4H124TRIAZOL3YL)PHENYL)BENZAMIDE
2CHLORON(4(4METHYL5((1(4TOLUIDINOCARBONYL)PROPYL)SULFANYL)4H124TRIAZOL3YL)PHENYL)BENZAMIDE
2CHLORON(4(4METHYL5(1(4METHYLANILINO)1OXOBUTAN2YL)SULFANYL124TRIAZOL3YL)PHENYL)BENZAMIDE
CCC(C(=O)NC1=CC=C(C=C1)C)SC2=NN=C(N2C)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Cl
InChI=1SC27H26ClN5O2Sc1423(26(35)301913917(2)101419)3627323124(33(27)3)18111520(161218)2925(34)21756822(21)28h51623H4H213H3(H2934)(H3035)
MFCD04092381
ZINC000008438217
ZINC000008438219
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