Vitas-M small molecule compound
4-chloro-N-{1-[5-({2-[(2-methoxy-5-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK115261
SMILES COc1ccc(cc1NC(=O)CSc1nnc(n1C)C(NC(=O)c1ccc(cc1)Cl)C)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 C22H24ClN5O3S MW 473.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN5O3S/c1-13-5-10-18(31-4)17(11-13)25-19(29)12-32-22-27-26-20(28(22)3)14(2)24-21(30)15-6-8-16(23)9-7-15/h5-11,14H,12H2,1-4H3,(H,24,30)(H,25,29)InChIKey
MDARYLYFUZDCGM-UHFFFAOYSA-NSynonyms
4CHLORON(1(5((2((2METHOXY5METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)BENZAMIDE
4CHLORON(1(5((2(2METHOXY5METHYLANILINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)BENZAMIDE
4CHLORON(1(5(2(2METHOXY5METHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C)C(C)NC(=O)C3=CC=C(C=C3)Cl
InChI=1SC22H24ClN5O3Sc11351018(314)17(1113)2519(29)123222272620(28(22)3)14(2)2421(30)156816(23)9715h51114H12H214H3(H2430)(H2529)
MFCD04090979
ZINC000000687477
ZINC000000687478
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