Vitas-M small molecule compound
N-{1-[5-({2-[(5-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-2-methylbenzamide
Catalog ID
STK136132
SMILES O=C(Nc1cc(Cl)ccc1C)CSc1nnc(n1C)C(NC(=O)c1ccccc1C)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 C22H24ClN5O2S MW 457.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN5O2S/c1-13-7-5-6-8-17(13)21(30)24-15(3)20-26-27-22(28(20)4)31-12-19(29)25-18-11-16(23)10-9-14(18)2/h5-11,15H,12H2,1-4H3,(H,24,30)(H,25,29)InChIKey
UNSRNBBDXCVJAB-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2C)C(C)NC(=O)C3=CC=CC=C3C
InChI=1SC22H24ClN5O2Sc113756817(13)21(30)2415(3)20262722(28(20)4)311219(29)25181116(23)10914(18)2h51115H12H214H3(H2430)(H2529)
MFCD08671403
N(1(5((2((5CHLORO2METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)2METHYLBENZAMIDE
N(1(5(2(5CHLORO2METHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)2METHYLBENZAMIDE
ZINC000009851130
ZINC000009851132
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