Vitas-M small molecule compound
3-methyl-N-{[4-methyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK120465
SMILES O=C(CSc1nnc(n1C)CNC(=O)c1cccc(c1)C)NCCc1ccccc1
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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 C22H25N5O2S MW 423.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O2S/c1-16-7-6-10-18(13-16)21(29)24-14-19-25-26-22(27(19)2)30-15-20(28)23-12-11-17-8-4-3-5-9-17/h3-10,13H,11-12,14-15H2,1-2H3,(H,23,28)(H,24,29)InChIKey
KFJJEXGOQRVWEN-UHFFFAOYSA-NSynonyms
3METHYLN((4METHYL5((2OXO2((2PHENYLETHYL)AMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
3methylN((4methyl5(2oxo2(2phenylethylamino)ethyl)sulfanyl124triazol3yl)methyl)benzamide
3METHYLN((4METHYL5(2OXO2(PHENETHYLAMINO)ETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NCCC3=CC=CC=C3
InChI=1SC22H25N5O2Sc116761018(1316)21(29)241419252622(27(19)2)301520(28)231211178435917h31013H11121415H212H3(H2328)(H2429)
MFCD03720592
ZINC000004691594
ZINC04691594
ZINC4691594
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