Vitas-M small molecule compound
N-{2-hydroxy-1-[4-methyl-5-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide
Catalog ID
STK245516
SMILES COc1ccc(cc1)C(=O)NC(c1nnc(n1C)SCC(=O)Nc1ccc(cc1)C)CO
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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 C22H25N5O4S MW 455.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O4S/c1-14-4-8-16(9-5-14)23-19(29)13-32-22-26-25-20(27(22)2)18(12-28)24-21(30)15-6-10-17(31-3)11-7-15/h4-11,18,28H,12-13H2,1-3H3,(H,23,29)(H,24,30)InChIKey
GSSGTDDNTMKDFR-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C(CO)NC(=O)C3=CC=C(C=C3)OC
InChI=1SC22H25N5O4Sc1144816(9514)2319(29)133222262520(27(22)2)18(1228)2421(30)1561017(313)11715h4111828H1213H213H3(H2329)(H2430)
MFCD08670080
N(2HYDROXY1(4METHYL5((2((4METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)4METHOXYBENZAMIDE
N(2HYDROXY1(4METHYL5(2(4METHYLANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)ETHYL)4METHOXYBENZAMIDE
N(2HYDROXY1(4METHYL5(PTOLYLCARBAMOYLMETHYLSULFANYL)4H(124)TRIAZOL3YL)ETHYL)4METHOXYBENZAMIDE
ZINC000009306183
ZINC000009306184
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