Vitas-M small molecule compound
N-(3,5-dimethylphenyl)-2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STL365559
SMILES O=C(Nc1cc(C)cc(c1)C)CSc1nnc(n1C)C(N1C(=O)COc2c1cccc2)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 C23H25N5O3S MW 451.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O3S/c1-14-9-15(2)11-17(10-14)24-20(29)13-32-23-26-25-22(27(23)4)16(3)28-18-7-5-6-8-19(18)31-12-21(28)30/h5-11,16H,12-13H2,1-4H3,(H,24,29)InChIKey
YWKXQTQNUFHNBJ-UHFFFAOYSA-NSynonyms
CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2C)C(C)N3C(=O)COC4=CC=CC=C43)C
InChI=1SC23H25N5O3Sc114915(2)1117(1014)2420(29)133223262522(27(23)4)16(3)2818756819(18)311221(28)30h51116H1213H214H3(H2429)
MFCD09476484
N(35dimethylphenyl)2((4methyl5(1(3oxo14benzoxazin4yl)ethyl)124triazol3yl)sulfanyl)acetamide
N(35dimethylphenyl)2((4methyl5(1(3oxo23dihydro4H14benzoxazin4yl)ethyl)4H124triazol3yl)sulfanyl)acetamide
ZINC000015019285
ZINC000015019286
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